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

C11H16N2O3S — CID 65139872

IUPAC2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(CSC2CCCCC2)no1
InChIInChI=1S/C11H16N2O3S/c14-11(15)6-10-12-9(13-16-10)7-17-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15)
InChIKeyLBZISPQYJDJSBO-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.26
Rot. Bonds5

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

2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 65139872) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID65139872
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(CSC2CCCCC2)no1
InChIInChI=1S/C11H16N2O3S/c14-11(15)6-10-12-9(13-16-10)7-17-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15)
InChIKeyLBZISPQYJDJSBO-UHFFFAOYSA-N
XLogP2.26
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]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-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 65139872) is 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(CSC2CCCCC2)no1.
What is the InChIKey of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is LBZISPQYJDJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11(15)6-10-12-9(13-16-10)7-17-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15).
What are the key properties of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 65139872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).