4-[5-(2-Methylbutan-2-yl)-1,3-benzoxazol-2(3H)-ylidene]cyclohexa-2,5-dien-1-one

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Basic information

CAS: 648422-76-8
Standard SMILES: CCC(C)(C)c1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIKey: ZGCYLWWUPQAKOE-UHFFFAOYSA-N
Molecular formula: C18H19NO2
Average molar mass: 281.3 g/mol
Monoisotopic mass: 281.14157885

Names & identifiers

Preferred name: 4-[5-(2-Methylbutan-2-yl)-1,3-benzoxazol-2(3H)-ylidene]cyclohexa-2,5-dien-1-one
IUPAC: 4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenol

Names & synonyms

648422-76-84-[5-(2-Methylbutan-2-yl)-1,3-benzoxazol-2(3H)-ylidene]cyclohexa-2,5-dien-1-oneSCHEMBL3366096DTXSID50726607ZGCYLWWUPQAKOE-UHFFFAOYSA-NDB-3963194-[5-(1,1-Dimethylpropyl)-2-benzoxazolyl]phenol4-[5-(1,1-Dimethyl-propyl)-benzooxazol-2-yl]-phenol4-[5-(1,1-Dimethyl-propyl)-benzoxazole-2-yl]-phenol

Database identifiers

CAS: 648422-76-8
PubChem CID: 136163370
DTXSID: DTXSID50726607

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 349

Related reactions

1 records

New reaction record

HRID 72072As productuspto-grants-2014_09

Compound notes

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