2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol

C9H13NO2S — CID 106923607

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1coc(SC2CCCC2O)n1
InChIInChI=1S/C9H13NO2S/c1-6-5-12-9(10-6)13-8-4-2-3-7(8)11/h5,7-8,11H,2-4H2,1H3
InChIKeyMYFDNCLIHZTYFD-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.99
Rot. Bonds2

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol (PubChem CID 106923607) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
PubChem CID106923607
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1coc(SC2CCCC2O)n1
InChIInChI=1S/C9H13NO2S/c1-6-5-12-9(10-6)13-8-4-2-3-7(8)11/h5,7-8,11H,2-4H2,1H3
InChIKeyMYFDNCLIHZTYFD-UHFFFAOYSA-N
XLogP1.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol (CID 106923607) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol is Cc1coc(SC2CCCC2O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol?
The InChIKey is MYFDNCLIHZTYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-5-12-9(10-6)13-8-4-2-3-7(8)11/h5,7-8,11H,2-4H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol has a molecular weight of 199.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 106923607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).