5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one

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Basic information

Standard SMILES: CC(C)c1ccc(-c2n[nH]c(=O)o2)cc1
InChIKey: BMHMAEDSRHFCIW-UHFFFAOYSA-N
Molecular formula: C11H12N2O2
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.08987763

Names & identifiers

Preferred name: 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC: 5-(4-propan-2-ylphenyl)-3H-1,3,4-oxadiazol-2-one

Names & synonyms

CHEMBL47525595-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-oneNSC225243SCHEMBL182023SCHEMBL21776948BMHMAEDSRHFCIW-UHFFFAOYSA-NBDBM600874US11634391, Compound 99BDBM50554470AKOS013512384NSC-225243DB-206348

Show more names

5-(4-isopropylphenyl)-1,3,4-oxadiazol-2-ol106728-67-0

Database identifiers

PubChem CID: 312920
ChEMBL: CHEMBL4752559

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 278

Related reactions

2 records

New reaction record

HRID 2172165As productuspto-grants-2015_06

HRID 2172166As reactantuspto-grants-2015_06

Compound notes

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