1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C12H17NO2S — CID 103520187

IUPAC1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCc1coc(SCC(=O)C2CCCCC2)n1
InChIInChI=1S/C12H17NO2S/c1-9-7-15-12(13-9)16-8-11(14)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyXTQNKWHCMUWSNN-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.22
Rot. Bonds4

About 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520187) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520187
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCc1coc(SCC(=O)C2CCCCC2)n1
InChIInChI=1S/C12H17NO2S/c1-9-7-15-12(13-9)16-8-11(14)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyXTQNKWHCMUWSNN-UHFFFAOYSA-N
XLogP3.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520187) is 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is Cc1coc(SCC(=O)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is XTQNKWHCMUWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-7-15-12(13-9)16-8-11(14)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).