4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one

C23H17NO3 — CID 3567474

IUPAC4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
SMILESCOc1ccccc1C=C1C(=O)ON=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17NO3/c1-26-21-10-6-5-9-19(21)15-20-22(24-27-23(20)25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyVIQZXTYGKPVQQO-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.71
Rot. Bonds4

About 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one

4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one (PubChem CID 3567474) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
PubChem CID3567474
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
SMILESCOc1ccccc1C=C1C(=O)ON=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17NO3/c1-26-21-10-6-5-9-19(21)15-20-22(24-27-23(20)25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyVIQZXTYGKPVQQO-UHFFFAOYSA-N
XLogP4.71
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 3736691
4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
CID 671163
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
(4Z)-3-(4-methylphenyl)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,2-oxazol-5-one
CID 2715895
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
4-[(2-methoxyphenyl)methylidene]-3-(2-nitrophenyl)-1,2-oxazol-5-one
CID 3917810
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 685684
4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3344955
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
CID 88977221
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479
[2-methoxy-4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]-6-prop-2-enylphenyl] benzenesulfonate
CID 126084475

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one?
The IUPAC name of 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one (CID 3567474) is 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one?
The canonical SMILES for 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one is COc1ccccc1C=C1C(=O)ON=C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one?
The InChIKey is VIQZXTYGKPVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-26-21-10-6-5-9-19(21)15-20-22(24-27-23(20)25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one?
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one has a molecular weight of 355.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 3567474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).