(4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

C16H12N2O2 — CID 5285453

IUPAC(4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESCc1cccc(C2=N/C(=C\c3cccnc3)C(=O)O2)c1
InChIInChI=1S/C16H12N2O2/c1-11-4-2-6-13(8-11)15-18-14(16(19)20-15)9-12-5-3-7-17-10-12/h2-10H,1H3/b14-9-
InChIKeyQQRJBDZONBKMBD-ZROIWOOFSA-N
MW264.28 g/mol
LogP2.73
Rot. Bonds2

About (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 5285453) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
PubChem CID5285453
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESCc1cccc(C2=N/C(=C\c3cccnc3)C(=O)O2)c1
InChIInChI=1S/C16H12N2O2/c1-11-4-2-6-13(8-11)15-18-14(16(19)20-15)9-12-5-3-7-17-10-12/h2-10H,1H3/b14-9-
InChIKeyQQRJBDZONBKMBD-ZROIWOOFSA-N
XLogP2.73
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-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

DAPK inhibitor 13
CID 56694877
(2,6-Diethylphenyl)(3-pyridinyl)methyl acetate
CID 5236931
2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 1551558
2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene)oxazol-5(4H)-one
CID 1733425
2-(2-Phenylethenyl)-4-(pyridin-3-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
CID 2360773
2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 5796642
4-(4-Methoxybenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIId)
CID 6112945
4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIe)
CID 35594376
4-(4-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIc)
CID 35594410
4-(4-Chlorobenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIb)
CID 108936379
4-(2-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIf)
CID 122711699
4-Benzylidene-2-(pyridin-3-yl) oxazol-5(4H)-one (IIIa)
CID 122711717

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (CID 5285453) is (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is Cc1cccc(C2=N/C(=C\c3cccnc3)C(=O)O2)c1.
What is the InChIKey of (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is QQRJBDZONBKMBD-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11-4-2-6-13(8-11)15-18-14(16(19)20-15)9-12-5-3-7-17-10-12/h2-10H,1H3/b14-9-.
What are the key properties of (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 264.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 5285453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).