(4Z)-4-(3,4-Dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one

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Basic information

CAS: 25349-37-5
Standard SMILES: COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC
InChIKey: LICJICSNXOUQAI-UVTDQMKNSA-N
Molecular formula: C18H15NO4
Average molar mass: 309.3 g/mol
Monoisotopic mass: 309.10010796

Names & identifiers

Preferred name: (4Z)-4-(3,4-Dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
IUPAC: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Names & synonyms

25349-37-5(Z)-4-(3,4-dimethoxybenzylidene)-2-phenyloxazol-5(4H)-one(4Z)-4-(3,4-Dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-oneNSC101935415-56-5NSC-101935(4H)-Oxazolone, 4-[(3,4-dimethoxyphenyl)methylene]-2-phenyl-, (Z)-(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-oneNSC637197NSC 10193NSC 637197H8EKM6ENM2

Show more names

SCHEMBL15421499LICJICSNXOUQAI-UVTDQMKNSA-NNSC105346SBB038849(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-oneAKOS000267031NSC-1053462-Oxazolin-5-one, 2-phenyl-4-veratrylidene-

Database identifiers

CAS: 25349-37-5、5415-56-5
PubChem CID: 679780
UNII: H8EKM6ENM2
Nikkaji: J2.991.187H

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 57.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 493

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Compound notes

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