1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone

C9H6ClNO3 — CID 115094231

IUPAC1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(Cl)o2)on1
InChIInChI=1S/C9H6ClNO3/c1-5(12)6-4-8(14-11-6)7-2-3-9(10)13-7/h2-4H,1H3
InChIKeyVREFJVDODNMFRL-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.79
Rot. Bonds2

About 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone

1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone (PubChem CID 115094231) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone
PubChem CID115094231
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(Cl)o2)on1
InChIInChI=1S/C9H6ClNO3/c1-5(12)6-4-8(14-11-6)7-2-3-9(10)13-7/h2-4H,1H3
InChIKeyVREFJVDODNMFRL-UHFFFAOYSA-N
XLogP2.79
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 82128630
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
(1S)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanol;1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 158318961
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone (CID 115094231) is 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone is CC(=O)c1cc(-c2ccc(Cl)o2)on1.
What is the InChIKey of 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is VREFJVDODNMFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-5(12)6-4-8(14-11-6)7-2-3-9(10)13-7/h2-4H,1H3.
What are the key properties of 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone?
1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 211.60 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 115094231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).