3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid

C7H10N2O3S — CID 62691705

IUPAC3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCSCc1noc(CCC(=O)O)n1
InChIInChI=1S/C7H10N2O3S/c1-13-4-5-8-6(12-9-5)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyIUNZNIJMQDFHAA-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.95
Rot. Bonds5

About 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 62691705) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID62691705
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCSCc1noc(CCC(=O)O)n1
InChIInChI=1S/C7H10N2O3S/c1-13-4-5-8-6(12-9-5)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyIUNZNIJMQDFHAA-UHFFFAOYSA-N
XLogP0.95
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic 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-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65130840
4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346150
1,1-difluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344687
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 62694108
N-methyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62694112
N,N-dimethyl-2-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 91843160
3-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 60863892
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65139161
4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 63892563
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 124569740
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 122134159
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65141558

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 62691705) is 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid is CSCc1noc(CCC(=O)O)n1.
What is the InChIKey of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is IUNZNIJMQDFHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-13-4-5-8-6(12-9-5)2-3-7(10)11/h2-4H2,1H3,(H,10,11).
What are the key properties of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 202.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 62691705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).