1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C11H8ClNO2S — CID 106924013

IUPAC1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO2S/c12-9-3-1-2-8(6-9)10(14)7-16-11-13-4-5-15-11/h1-6H,7H2
InChIKeyKKGPLSIACZFNAS-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106924013) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106924013
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO2S/c12-9-3-1-2-8(6-9)10(14)7-16-11-13-4-5-15-11/h1-6H,7H2
InChIKeyKKGPLSIACZFNAS-UHFFFAOYSA-N
XLogP3.30
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923946
1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923930
1-(3-fluoro-4-methoxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923949
2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106924031
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135887538
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
ethyl 2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 43218423
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8675663

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106924013) is 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is O=C(CSc1ncco1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is KKGPLSIACZFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c12-9-3-1-2-8(6-9)10(14)7-16-11-13-4-5-15-11/h1-6H,7H2.
What are the key properties of 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 253.71 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106924013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).