5-(Furan-2-yl)-1,3,4-oxadiazol-2-amine

HCID 202185

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Basic information

CAS: 7659-06-5
Standard SMILES: Nc1nnc(-c2ccco2)o1
InChIKey: RNARLYVZVOWYHW-UHFFFAOYSA-N
Molecular formula: C6H5N3O2
Average molar mass: 151.12 g/mol
Monoisotopic mass: 151.0381764

Names & identifiers

Preferred name: 5-(Furan-2-yl)-1,3,4-oxadiazol-2-amine
IUPAC: 5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
English name: 5-Furan-2-yl-1,3,4-oxadiazol-2-ylamine
Molecular formula: C6H5N3O2
Molecular weight: 151.12

Names & synonyms

5-(furan-2-yl)-1,3,4-oxadiazol-2-amineRefChem:531262671-513-07659-06-55-Furan-2-yl-1,3,4-oxadiazol-2-ylamine5-(2-furyl)-1,3,4-oxadiazol-2-amineMFCD01710630BRN 01462572-Amino-5-(2-furyl)-1,3,4-oxadiazole2-Amino-5-(2-Furanyl)-1,3,4-oxadiazole2-Amino-5-furan-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-amino-5-(2-furyl)-

Show more names

5-(Furan-2-yl)4-oxadiazole,2-amino-5-(2-furyl)-35-(2-Furanyl)-1,3,4-oxadiazol-2-amine5-(2-Furanyl)-1,3,4-oxadiazole-2-amine1,3,4-Oxadiazol-2-amine, 5-(2-furanyl)-

HMS1748M09F2146-0060AKOS000117892SB61346CS-00328125-(2-furyl)-1,3,4-oxadiazole-2-ylamineSCHEMBL1852694DTXSID40227390

Database identifiers

CAS: 7659-06-5
PubChem CID: 202185
DTXSID: DTXSID40227390
EC Number: 671-513-0
Nikkaji: J42.559A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 225 · 225-226 °C
Boiling point: 318.5 · 318.5±34.0 °C(Predicted)
Density: 1.385 · 1.385±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: -1.53 · -1.53±0.13(Predicted)
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 7659 · 7659-06-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2934999090
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses5-Furan-2-yl-1,3,4-oxadiazol-2-ylamine, can be used in the synthesis of various chemical compounds having therapeutic activity, such as N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-4-quinolinecarboxamide (F863670), a small molecular inhibitor of STAT3, a cancer therapeutic agent against Glioblastoma multiforme tumor cells, and a drug target.