(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one

C16H11FN2O3 — CID 108937298

IUPAC(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESCOc1ccc(F)cc1/C=C1/N=C(c2cccnc2)OC1=O
InChIInChI=1S/C16H11FN2O3/c1-21-14-5-4-12(17)7-11(14)8-13-16(20)22-15(19-13)10-3-2-6-18-9-10/h2-9H,1H3/b13-8+
InChIKeyVQGXWSGXHJRRSR-MDWZMJQESA-N
MW298.27 g/mol
LogP2.57
Rot. Bonds3

About (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one

(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one (PubChem CID 108937298) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
PubChem CID108937298
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESCOc1ccc(F)cc1/C=C1/N=C(c2cccnc2)OC1=O
InChIInChI=1S/C16H11FN2O3/c1-21-14-5-4-12(17)7-11(14)8-13-16(20)22-15(19-13)10-3-2-6-18-9-10/h2-9H,1H3/b13-8+
InChIKeyVQGXWSGXHJRRSR-MDWZMJQESA-N
XLogP2.57
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 920256
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
2-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5180948
(4Z)-2-(3-fluorophenyl)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19666154
(4E)-2-benzyl-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937318
4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 3106048
2-(3,4-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4132107
4-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 822677
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 806042
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 797131
(4E)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 8902893
(4Z)-2-[3-(difluoromethoxy)phenyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2689794

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one (CID 108937298) is (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is COc1ccc(F)cc1/C=C1/N=C(c2cccnc2)OC1=O.
What is the InChIKey of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The InChIKey is VQGXWSGXHJRRSR-MDWZMJQESA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-21-14-5-4-12(17)7-11(14)8-13-16(20)22-15(19-13)10-3-2-6-18-9-10/h2-9H,1H3/b13-8+.
What are the key properties of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one has a molecular weight of 298.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is sourced from PubChem (CID 108937298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).