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

C10H10N2O3S — CID 115079627

IUPAC3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESO=C(O)CCc1noc(Cc2cccs2)n1
InChIInChI=1S/C10H10N2O3S/c13-10(14)4-3-8-11-9(15-12-8)6-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyUOZHOZIVEZPPLR-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.74
Rot. Bonds5

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

3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid (PubChem CID 115079627) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
PubChem CID115079627
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESO=C(O)CCc1noc(Cc2cccs2)n1
InChIInChI=1S/C10H10N2O3S/c13-10(14)4-3-8-11-9(15-12-8)6-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyUOZHOZIVEZPPLR-UHFFFAOYSA-N
XLogP1.74
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62502007
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
3-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079130
5-oxo-1-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50953797
3-[4-chloro-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 117225466
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55221760
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345709
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 74249537
2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
CID 72871755

Frequently Asked Questions

What is the IUPAC name of 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid (CID 115079627) is 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid is O=C(O)CCc1noc(Cc2cccs2)n1.
What is the InChIKey of 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The InChIKey is UOZHOZIVEZPPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-10(14)4-3-8-11-9(15-12-8)6-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid has a molecular weight of 238.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid is sourced from PubChem (CID 115079627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).