(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one

C18H10N2O4 — CID 58657938

IUPAC(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C1/N=C(c2ccccc2)OC1=O
InChIInChI=1S/C18H10N2O4/c21-17-13(19-15(23-17)11-7-3-1-4-8-11)14-18(22)24-16(20-14)12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKeyMTOHWJFJFWXNKY-BUHFOSPRSA-N
MW318.29 g/mol
LogP2.21
Rot. Bonds2

About (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one

(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 58657938) has the molecular formula C18H10N2O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID58657938
Molecular FormulaC18H10N2O4
Molecular Weight318.29 g/mol
Exact Mass318.06
IUPAC Name(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C1/N=C(c2ccccc2)OC1=O
InChIInChI=1S/C18H10N2O4/c21-17-13(19-15(23-17)11-7-3-1-4-8-11)14-18(22)24-16(20-14)12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKeyMTOHWJFJFWXNKY-BUHFOSPRSA-N
XLogP2.21
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-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

4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 21179103
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-4-butan-2-ylidene-2-phenyl-1,3-oxazol-5-one
CID 13148826
4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one
CID 101166655
4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 162070057
(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 145359709
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4E)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one
CID 6520135
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
4-[2-bromo-1-(dimethylamino)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 3734971
(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one (CID 58657938) is (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C1/N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is MTOHWJFJFWXNKY-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H10N2O4/c21-17-13(19-15(23-17)11-7-3-1-4-8-11)14-18(22)24-16(20-14)12-9-5-2-6-10-12/h1-10H/b14-13+.
What are the key properties of (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 318.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 58657938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).