4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one

C21H16N2O2 — CID 101166655

IUPAC4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1ccc(N2C=CC(=C3N=C(c4ccccc4)OC3=O)C=C2)cc1
InChIInChI=1S/C21H16N2O2/c1-15-7-9-18(10-8-15)23-13-11-16(12-14-23)19-21(24)25-20(22-19)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyOGZASGHQCYPHHO-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.10
Rot. Bonds2

About 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one

4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 101166655) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID101166655
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1ccc(N2C=CC(=C3N=C(c4ccccc4)OC3=O)C=C2)cc1
InChIInChI=1S/C21H16N2O2/c1-15-7-9-18(10-8-15)23-13-11-16(12-14-23)19-21(24)25-20(22-19)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyOGZASGHQCYPHHO-UHFFFAOYSA-N
XLogP4.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.10
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

(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
(4Z)-4-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 34924427
(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one
CID 51112053
4-[chloro-(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 833335
(4E)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one
CID 6520135
4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 162070057
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
(4Z)-2-(4-tert-butylphenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one
CID 171979705
4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 21179103
2-[(2Z)-2-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]-1,3-benzothiazol-3-yl]acetonitrile
CID 51065124
(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 13234659
(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one
CID 6046039

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one (CID 101166655) is 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one is Cc1ccc(N2C=CC(=C3N=C(c4ccccc4)OC3=O)C=C2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is OGZASGHQCYPHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-15-7-9-18(10-8-15)23-13-11-16(12-14-23)19-21(24)25-20(22-19)17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one?
4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 328.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 101166655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).