(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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Related Compounds

Acetic acid 2-methoxy-4-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester
CID 695240
4-(4-Methoxybenzylidene)-2-phenyl-2-oxazolin-5-one
CID 689546
5(4H)-Oxazolone, 4-[(4-methoxyphenyl)methylene]-2-methyl-
CID 1550410
4-(2,5-Dimethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 689700
(Z)-2-(tert-butyl)-4-(2-methoxybenzylidene)oxazol-5(4H)-one
CID 18558861
4-(4-Methoxy-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 5411269
4-(2-Methoxybenzylidene)-2-phenyloxazol-5(4H)-one
CID 708904
4-(2,4-Dimethoxybenzylidene)-2-phenyl-2-oxazolin-5-one
CID 738743
4-(2-Methoxy-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 244700
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
(4Z)-4-[(dimethylamino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
CID 878739
4-[4-(pentyloxy)benzylidene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 1729300

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).