(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

C16H11NO3 — CID 6952358

IUPAC(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1
InChIInChI=1S/C16H11NO3/c18-16-14(11-13-7-4-10-19-13)17-15(20-16)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+,14-11+
InChIKeyYOQPDXMPNGKUIA-HUKVCQRGSA-N
MW265.27 g/mol
LogP3.29
Rot. Bonds3

About (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one (PubChem CID 6952358) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
PubChem CID6952358
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1
InChIInChI=1S/C16H11NO3/c18-16-14(11-13-7-4-10-19-13)17-15(20-16)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+,14-11+
InChIKeyYOQPDXMPNGKUIA-HUKVCQRGSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-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

(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 691746
(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
CID 5410709
(Z)-2-(2-fluorophenyl)-4-((5-methylfuran-2-yl)methylene)oxazol-5(4H)-one
CID 740485
(4E)-4-(2-Furylmethylene)-2-methyl-1,3-oxazol-5(4H)-one
CID 1550242
2-(benzylthio)-4-(2-furylmethylene)-1,3-thiazol-5(4H)-one
CID 2191720
(4E)-4-(2-furylmethylene)-2-phenyl-1,3-thiazol-5(4H)-one
CID 5771471
(4Z)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 5801127
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6264314
(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 6520065
(4E)-2-(3,4-Dimethylphenyl)-4-[(5-methylfuran-2-YL)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 6935048
(4Z)-4-(furan-2-ylmethylidene)-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 1712959
(4Z)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 5894074

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one (CID 6952358) is (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one is O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1.
What is the InChIKey of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
The InChIKey is YOQPDXMPNGKUIA-HUKVCQRGSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16-14(11-13-7-4-10-19-13)17-15(20-16)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+,14-11+.
What are the key properties of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one has a molecular weight of 265.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one is sourced from PubChem (CID 6952358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).