5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol

C13H22N2O2S — CID 110911807

IUPAC5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESOCCCCCSc1nnc(C2CCCCC2)o1
InChIInChI=1S/C13H22N2O2S/c16-9-5-2-6-10-18-13-15-14-12(17-13)11-7-3-1-4-8-11/h11,16H,1-10H2
InChIKeyRUIKVFXQMJGNEI-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.37
Rot. Bonds7

About 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol

5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 110911807) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID110911807
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESOCCCCCSc1nnc(C2CCCCC2)o1
InChIInChI=1S/C13H22N2O2S/c16-9-5-2-6-10-18-13-15-14-12(17-13)11-7-3-1-4-8-11/h11,16H,1-10H2
InChIKeyRUIKVFXQMJGNEI-UHFFFAOYSA-N
XLogP3.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol (CID 110911807) is 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol is OCCCCCSc1nnc(C2CCCCC2)o1.
What is the InChIKey of 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is RUIKVFXQMJGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-9-5-2-6-10-18-13-15-14-12(17-13)11-7-3-1-4-8-11/h11,16H,1-10H2.
What are the key properties of 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 270.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 110911807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).