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

C16H12N2O3 — CID 6112945

IUPAC(4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-20-13-6-4-11(5-7-13)9-14-16(19)21-15(18-14)12-3-2-8-17-10-12/h2-10H,1H3/b14-9+
InChIKeyRBURMGNXRDRNQR-NTEUORMPSA-N
MW280.28 g/mol
LogP2.43
Rot. Bonds3

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

(4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one (PubChem CID 6112945) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
PubChem CID6112945
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-20-13-6-4-11(5-7-13)9-14-16(19)21-15(18-14)12-3-2-8-17-10-12/h2-10H,1H3/b14-9+
InChIKeyRBURMGNXRDRNQR-NTEUORMPSA-N
XLogP2.43
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
4-Methylphenyl pyridine-3-carboxylate
CID 735961
2-[2-(4-Chlorophenoxy)-3-pyridyl]-4-[(dimethylamino)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 2801110
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
alpha3IA
CID 11824289
4-(3-Oxo-1-buten-1-yl)phenyl nicotinate
CID 2132338
2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 1551558
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
4-Pyridin-3-ylmethylene-2-m-tolyl-4H-oxazol-5-one
CID 5285453
3-(4-Methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one
CID 6035979
3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 11078398
3-(4-Methoxybenzylidene)anabaseine
CID 11601561

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one (CID 6112945) is (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is COc1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1.
What is the InChIKey of (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The InChIKey is RBURMGNXRDRNQR-NTEUORMPSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-20-13-6-4-11(5-7-13)9-14-16(19)21-15(18-14)12-3-2-8-17-10-12/h2-10H,1H3/b14-9+.
What are the key properties of (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
(4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one has a molecular weight of 280.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is sourced from PubChem (CID 6112945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).