4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol

C10H15NO2S — CID 130599630

IUPAC4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CSc2ncco2)CC1
InChIInChI=1S/C10H15NO2S/c12-9-3-1-8(2-4-9)7-14-10-11-5-6-13-10/h5-6,8-9,12H,1-4,7H2
InChIKeyKSYZSZMVXPPMGF-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.32
Rot. Bonds3

About 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol

4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 130599630) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol
PubChem CID130599630
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CSc2ncco2)CC1
InChIInChI=1S/C10H15NO2S/c12-9-3-1-8(2-4-9)7-14-10-11-5-6-13-10/h5-6,8-9,12H,1-4,7H2
InChIKeyKSYZSZMVXPPMGF-UHFFFAOYSA-N
XLogP2.32
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol (CID 130599630) is 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol is OC1CCC(CSc2ncco2)CC1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is KSYZSZMVXPPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-9-3-1-8(2-4-9)7-14-10-11-5-6-13-10/h5-6,8-9,12H,1-4,7H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol?
4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 213.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 130599630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).