1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone

C11H7ClFNO2 — CID 14814686

IUPAC1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2c(F)cccc2Cl)no1
InChIInChI=1S/C11H7ClFNO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-5H,1H3
InChIKeyZTLILTJZQBBRJE-UHFFFAOYSA-N
MW239.63 g/mol
LogP3.34
Rot. Bonds2

About 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone

1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone (PubChem CID 14814686) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone
PubChem CID14814686
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2c(F)cccc2Cl)no1
InChIInChI=1S/C11H7ClFNO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-5H,1H3
InChIKeyZTLILTJZQBBRJE-UHFFFAOYSA-N
XLogP3.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide
CID 175915011
carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 21394179
3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117382472
2-chloro-N-[3-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 174462735
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542794
3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117431788
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487
(Z)-3-[3-(2,6-dimethylphenyl)-1,2-oxazol-5-yl]-2-fluorobut-2-enal
CID 59901043
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone (CID 14814686) is 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone is CC(=O)c1cc(-c2c(F)cccc2Cl)no1.
What is the InChIKey of 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone?
The InChIKey is ZTLILTJZQBBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-5H,1H3.
What are the key properties of 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone?
1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone has a molecular weight of 239.63 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 14814686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).