(4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone

C15H8ClNO4 — CID 45034406

IUPAC(4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1conc1C(=O)c1ccco1
InChIInChI=1S/C15H8ClNO4/c16-10-5-3-9(4-6-10)14(18)11-8-21-17-13(11)15(19)12-2-1-7-20-12/h1-8H
InChIKeyXWKRZYUHOZRPQI-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.38
Rot. Bonds4

About (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone

(4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone (PubChem CID 45034406) has the molecular formula C15H8ClNO4 and a molecular weight of 301.69 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone
PubChem CID45034406
Molecular FormulaC15H8ClNO4
Molecular Weight301.69 g/mol
Exact Mass301.01
IUPAC Name(4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1conc1C(=O)c1ccco1
InChIInChI=1S/C15H8ClNO4/c16-10-5-3-9(4-6-10)14(18)11-8-21-17-13(11)15(19)12-2-1-7-20-12/h1-8H
InChIKeyXWKRZYUHOZRPQI-UHFFFAOYSA-N
XLogP3.38
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone (CID 45034406) is (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone is O=C(c1ccc(Cl)cc1)c1conc1C(=O)c1ccco1.
What is the InChIKey of (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is XWKRZYUHOZRPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO4/c16-10-5-3-9(4-6-10)14(18)11-8-21-17-13(11)15(19)12-2-1-7-20-12/h1-8H.
What are the key properties of (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone?
(4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 301.69 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(furan-2-carbonyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 45034406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).