2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid

C12H15N3O3S — CID 43631483

IUPAC2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1noc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C12H15N3O3S/c1-2-4-8(12(16)17)13-7-10-14-11(18-15-10)9-5-3-6-19-9/h3,5-6,8,13H,2,4,7H2,1H3,(H,16,17)
InChIKeyHQBNGJYKBNYAPO-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.14
Rot. Bonds7

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

2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid (PubChem CID 43631483) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
PubChem CID43631483
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1noc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C12H15N3O3S/c1-2-4-8(12(16)17)13-7-10-14-11(18-15-10)9-5-3-6-19-9/h3,5-6,8,13H,2,4,7H2,1H3,(H,16,17)
InChIKeyHQBNGJYKBNYAPO-UHFFFAOYSA-N
XLogP2.14
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
(2R)-2-amino-3-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic acid
CID 106442400
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 131894083
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 52521080
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50755689
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid (CID 43631483) is 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid is CCCC(NCc1noc(-c2cccs2)n1)C(=O)O.
What is the InChIKey of 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
The InChIKey is HQBNGJYKBNYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-4-8(12(16)17)13-7-10-14-11(18-15-10)9-5-3-6-19-9/h3,5-6,8,13H,2,4,7H2,1H3,(H,16,17).
What are the key properties of 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid has a molecular weight of 281.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).