1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane

C13H14ClNO2 — CID 178176313

IUPAC1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
SMILESCC.CC(=O)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C11H8ClNO2.C2H6/c1-7(14)10-6-11(15-13-10)8-4-2-3-5-9(8)12;1-2/h2-6H,1H3;1-2H3
InChIKeyUZABUUOZCKLTOS-UHFFFAOYSA-N
MW251.71 g/mol
LogP4.22
Rot. Bonds2

About 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane

1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane (PubChem CID 178176313) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
PubChem CID178176313
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
SMILESCC.CC(=O)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C11H8ClNO2.C2H6/c1-7(14)10-6-11(15-13-10)8-4-2-3-5-9(8)12;1-2/h2-6H,1H3;1-2H3
InChIKeyUZABUUOZCKLTOS-UHFFFAOYSA-N
XLogP4.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364201
1-[5-(5-chlorofuran-2-yl)-1,2-oxazol-3-yl]ethanone
CID 115094231
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256257
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689999
5-[3-chloro-2-(1,1-difluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117464297
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methanethiol
CID 165473131
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane?
The IUPAC name of 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane (CID 178176313) is 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane?
The canonical SMILES for 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane is CC.CC(=O)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane?
The InChIKey is UZABUUOZCKLTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2.C2H6/c1-7(14)10-6-11(15-13-10)8-4-2-3-5-9(8)12;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane?
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane has a molecular weight of 251.71 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane is sourced from PubChem (CID 178176313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).