4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid

C9H14N2O3S — CID 65130840

IUPAC4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCCSCc1noc(CCCC(=O)O)n1
InChIInChI=1S/C9H14N2O3S/c1-2-15-6-7-10-8(14-11-7)4-3-5-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyFJUTZPQFQSZSBX-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.73
Rot. Bonds7

About 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 65130840) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID65130840
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCCSCc1noc(CCCC(=O)O)n1
InChIInChI=1S/C9H14N2O3S/c1-2-15-6-7-10-8(14-11-7)4-3-5-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyFJUTZPQFQSZSBX-UHFFFAOYSA-N
XLogP1.73
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic 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

4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 63892563
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 62691705
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65130266
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65139161
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 65129486
4-(3-bromo-1,2,4-oxadiazol-5-yl)butanoic acid
CID 82389565
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-phenylpropanoic acid
CID 65131137
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62596472
4-[3-[[(5-chloro-2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 138004013
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CID 65130840) is 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid is CCSCc1noc(CCCC(=O)O)n1.
What is the InChIKey of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is FJUTZPQFQSZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-15-6-7-10-8(14-11-7)4-3-5-9(12)13/h2-6H2,1H3,(H,12,13).
What are the key properties of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 230.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 65130840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).