2-phenyl-2H-1,3,4-oxadiazol-5-one

C8H6N2O2 — CID 14538

IUPAC2-phenyl-2H-1,3,4-oxadiazol-5-one
SMILESO=C1N=NC(c2ccccc2)O1
InChIInChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5,7H
InChIKeyNVXPWAAHRICPQU-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.29
Rot. Bonds1

About 2-phenyl-2H-1,3,4-oxadiazol-5-one

2-phenyl-2H-1,3,4-oxadiazol-5-one (PubChem CID 14538) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-phenyl-2H-1,3,4-oxadiazol-5-one.

Molecular Properties

Compound Name2-phenyl-2H-1,3,4-oxadiazol-5-one
PubChem CID14538
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2-phenyl-2H-1,3,4-oxadiazol-5-one
SMILESO=C1N=NC(c2ccccc2)O1
InChIInChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5,7H
InChIKeyNVXPWAAHRICPQU-UHFFFAOYSA-N
XLogP2.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-nitroso(acetoxybenzyl)methylamine
CID 40637
2,5-Diphenyl-2,5-dihydro-1,3,4-oxadiazole
CID 456811
1,2-DiazenedicarboxylicAcid1-Ethyl2-(phenylmethyl)Ester
CID 6186818
Carbonazidic acid, phenylmethyl ester
CID 11126814
Methoxy benzyl azide
CID 11217423
Benzene, [azido(phenylmethoxy)methyl]-
CID 11287883
[Amino(phenyl)methyl] formate
CID 21697971
Nitrobenzyl carbamate
CID 21868123
2-Phenyl-1,3-oxazol-5-one
CID 53249253
benzyl N-methyliminocarbamate
CID 89324377
[5-(4-Fluorophenyl)tetrazol-5-yl] acetate
CID 57161320
2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one
CID 67572635

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2H-1,3,4-oxadiazol-5-one?
The IUPAC name of 2-phenyl-2H-1,3,4-oxadiazol-5-one (CID 14538) is 2-phenyl-2H-1,3,4-oxadiazol-5-one.
What is the SMILES notation for 2-phenyl-2H-1,3,4-oxadiazol-5-one?
The canonical SMILES for 2-phenyl-2H-1,3,4-oxadiazol-5-one is O=C1N=NC(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-2H-1,3,4-oxadiazol-5-one?
The InChIKey is NVXPWAAHRICPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of 2-phenyl-2H-1,3,4-oxadiazol-5-one?
2-phenyl-2H-1,3,4-oxadiazol-5-one has a molecular weight of 162.15 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2H-1,3,4-oxadiazol-5-one is sourced from PubChem (CID 14538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).