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

C17H13NO3 — CID 708905

IUPAC(4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)11-14-17(19)21-16(18-14)12-7-3-2-4-8-12/h2-11H,1H3/b14-11-
InChIKeyOBHPEUUKGHZAJJ-KAMYIIQDSA-N
MW279.30 g/mol
LogP3.04
Rot. Bonds3

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

(4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 708905) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID708905
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)11-14-17(19)21-16(18-14)12-7-3-2-4-8-12/h2-11H,1H3/b14-11-
InChIKeyOBHPEUUKGHZAJJ-KAMYIIQDSA-N
XLogP3.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.04
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-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 708905) is (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is OBHPEUUKGHZAJJ-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)11-14-17(19)21-16(18-14)12-7-3-2-4-8-12/h2-11H,1H3/b14-11-.
What are the key properties of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 279.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 708905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).