(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

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Related Compounds

furan-2-yl-[3-(thiophene-2-carbonyl)-1,2-oxazol-4-yl]methanone
CID 23792528
(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone
CID 56692836
furan-2-yl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1,2-oxazol-3-yl]methanone
CID 11653466
(4-chlorophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524484
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
CID 24723376
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
[[amino-(4-chlorophenyl)methylidene]amino] furan-2-carboxylate
CID 2276422
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027

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).