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

C18H15NO3 — CID 5411269

IUPAC(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12-3-7-14(8-4-12)17-19-16(18(20)22-17)11-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b16-11-
InChIKeyZWBVMAMDCKGKAA-WJDWOHSUSA-N
MW293.32 g/mol
LogP3.35
Rot. Bonds3

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

(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (PubChem CID 5411269) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
PubChem CID5411269
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12-3-7-14(8-4-12)17-19-16(18(20)22-17)11-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b16-11-
InChIKeyZWBVMAMDCKGKAA-WJDWOHSUSA-N
XLogP3.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (CID 5411269) is (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is COc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1.
What is the InChIKey of (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is ZWBVMAMDCKGKAA-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-3-7-14(8-4-12)17-19-16(18(20)22-17)11-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b16-11-.
What are the key properties of (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 293.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 5411269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).