4-Methyloxazole-5-carboxamide

HCID 78581

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Basic information

CAS: 4866-00-6
Standard SMILES: Cc1ncoc1C(N)=O
InChIKey: HBKBZJZRIWAICY-UHFFFAOYSA-N
Molecular formula: C5H6N2O2
Average molar mass: 126.11 g/mol
Monoisotopic mass: 126.04292743

Names & identifiers

Preferred name: 4-Methyloxazole-5-carboxamide
IUPAC: 4-methyl-1,3-oxazole-5-carboxamide
English name: 4-Methyl-oxazole-5-carboxylic acid amide
Molecular formula: C5H6N2O2
Molecular weight: 126.11

Names & synonyms

4-Methyloxazole-5-carboxamide4866-00-6EINECS 225-472-75-Carbamoyl-4-methyloxazoleDTXSID30197573EC 225-472-7RefChem:525631DTXCID90120064225-472-74-Methyl-1,3-oxazole-5-carboxamide5-Oxazolecarboxamide,4-methyl-4-Methyl-oxazole-5-carboxylic acid amide

Show more names

4-Methyl-5-oxazolecarboxamide

MFCD004648215-Oxazolecarboxamide, 4-methyl-SCHEMBL2139234Oxazole-5-carboxamide, 4-methyl-AKOS0049068184-methyloxazole-5-carboxylic acid amide4-Methyl-1,3-oxazole-5-carboxamide #DB-427683

Database identifiers

CAS: 4866-00-6
PubChem CID: 78581
DTXSID: DTXSID30197573
EC Number: 225-472-7
Nikkaji: J262.502D

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 197 · 197-198 °C
Boiling point: 260.1 · 260.1±28.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
pka: 14.51 · 14.51±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2934999090 · 2934999090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29730

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P