(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one

C15H12N2O2 — CID 6078227

IUPAC(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCN1C=CC=C/C1=C1/N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H12N2O2/c1-17-10-6-5-9-12(17)13-15(18)19-14(16-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12-
InChIKeyBITUDWGONJCQTJ-SEYXRHQNSA-N
MW252.27 g/mol
LogP2.22
Rot. Bonds1

About (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one

(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 6078227) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID6078227
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCN1C=CC=C/C1=C1/N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H12N2O2/c1-17-10-6-5-9-12(17)13-15(18)19-14(16-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12-
InChIKeyBITUDWGONJCQTJ-SEYXRHQNSA-N
XLogP2.22
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-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

Oxazolone
CID 1712094
Azlactone
CID 65073
4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704134
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
(4Z)-4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704135
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
2-Oxazolin-5-one, 4-(p-fluorobenzylidene)-2-phenyl-
CID 1550109
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
4-[(Z)-1-(dimethylamino)-2-(4-methylpiperazino)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 5786980

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one (CID 6078227) is (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one is CN1C=CC=C/C1=C1/N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BITUDWGONJCQTJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-10-6-5-9-12(17)13-15(18)19-14(16-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12-.
What are the key properties of (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 252.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 6078227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).