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

C12H18N2O3S — CID 65390942

IUPAC2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
SMILESCCC1CCC(c2noc(SCC(=O)O)n2)CC1
InChIInChI=1S/C12H18N2O3S/c1-2-8-3-5-9(6-4-8)11-13-12(17-14-11)18-7-10(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyUOPRHKXUGDEWAO-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.93
Rot. Bonds5

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

2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid (PubChem CID 65390942) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
PubChem CID65390942
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
SMILESCCC1CCC(c2noc(SCC(=O)O)n2)CC1
InChIInChI=1S/C12H18N2O3S/c1-2-8-3-5-9(6-4-8)11-13-12(17-14-11)18-7-10(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyUOPRHKXUGDEWAO-UHFFFAOYSA-N
XLogP2.93
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-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

Related Compounds

2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 65333525
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 65406042
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65406908
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 65390542
2-[[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 79965512
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65395750
3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837002
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
2-[[5-cyclopropyl-4-(4-ethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61470083
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500564
2-[[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 116779644

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid (CID 65390942) is 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid is CCC1CCC(c2noc(SCC(=O)O)n2)CC1.
What is the InChIKey of 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The InChIKey is UOPRHKXUGDEWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-8-3-5-9(6-4-8)11-13-12(17-14-11)18-7-10(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid is sourced from PubChem (CID 65390942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).