2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

C12H18N2O3S — CID 43148598

IUPAC2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C12H18N2O3S/c15-11(16)8-18-12-14-13-10(17-12)7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,15,16)
InChIKeyWGHQCLWMLPNFQX-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.76
Rot. Bonds6

About 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 43148598) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID43148598
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C12H18N2O3S/c15-11(16)8-18-12-14-13-10(17-12)7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,15,16)
InChIKeyWGHQCLWMLPNFQX-UHFFFAOYSA-N
XLogP2.76
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid 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 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 43148598) is 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is O=C(O)CSc1nnc(CCC2CCCCC2)o1.
What is the InChIKey of 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is WGHQCLWMLPNFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11(16)8-18-12-14-13-10(17-12)7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,15,16).
What are the key properties of 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 43148598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).