HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 20119829Generated: November 1, 2026

5-[2-(4-Methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine · 1,3,4-Oxadiazol-2-amine, 5-[2-(4-methoxyphenyl)ethyl]-

https://huagongshe.com/en/chemical/20119829

5-[2-(4-Methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine molecular structure

Identifiers & Physical Properties

CAS No.	1016749-64-6
Molecular formula	C11H13N3O2
Average molar mass	219.24 g/mol
Monoisotopic mass	219.10077667 g/mol
SMILES	COc1ccc(CCc2nnc(N)o2)cc1
InChIKey	QBXMTWRMEHRPCR-UHFFFAOYSA-N
PubChem CID	20119829
EC No.	996-601-9
DTXSID	DTXSID90602734

Chemical & Physical Properties

XLogP	1.2
Topological polar surface area	74.2
Hydrogen bond donors	1
Hydrogen bond acceptors	5
Rotatable bonds	4
Heavy atoms	16
Formal charge	0
Complexity	207
Boiling point	409.0±47.0 °C(Predicted)
Density	1.228±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	-0.58±0.13(Predicted)

Safety & Regulations

GHS classification	WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)