5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one

C10H15NO2S — CID 13279299

IUPAC5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one
SMILESO=c1cc(CSC2CCCCC2)o[nH]1
InChIInChI=1S/C10H15NO2S/c12-10-6-8(13-11-10)7-14-9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H,11,12)
InChIKeyXTGZVPMFMNNEGU-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.53
Rot. Bonds3

About 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one

5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one (PubChem CID 13279299) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one
PubChem CID13279299
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one
SMILESO=c1cc(CSC2CCCCC2)o[nH]1
InChIInChI=1S/C10H15NO2S/c12-10-6-8(13-11-10)7-14-9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H,11,12)
InChIKeyXTGZVPMFMNNEGU-UHFFFAOYSA-N
XLogP2.53
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one (CID 13279299) is 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one is O=c1cc(CSC2CCCCC2)o[nH]1.
What is the InChIKey of 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one?
The InChIKey is XTGZVPMFMNNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-10-6-8(13-11-10)7-14-9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H,11,12).
What are the key properties of 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one?
5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one has a molecular weight of 213.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfanylmethyl)-1,2-oxazol-3-one is sourced from PubChem (CID 13279299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).