1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid

C10H7N5O3S — CID 62059910

IUPAC1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2nc(-c3ccsc3)no2)nn1
InChIInChI=1S/C10H7N5O3S/c16-10(17)7-3-15(14-12-7)4-8-11-9(13-18-8)6-1-2-19-5-6/h1-3,5H,4H2,(H,16,17)
InChIKeyAHKOJLRRKOOGOU-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.14
Rot. Bonds4

About 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid

1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid (PubChem CID 62059910) has the molecular formula C10H7N5O3S and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
PubChem CID62059910
Molecular FormulaC10H7N5O3S
Molecular Weight277.26 g/mol
Exact Mass277.03
IUPAC Name1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2nc(-c3ccsc3)no2)nn1
InChIInChI=1S/C10H7N5O3S/c16-10(17)7-3-15(14-12-7)4-8-11-9(13-18-8)6-1-2-19-5-6/h1-3,5H,4H2,(H,16,17)
InChIKeyAHKOJLRRKOOGOU-UHFFFAOYSA-N
XLogP1.14
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059428
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]thiomorpholin-3-yl]acetic acid
CID 66443177
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072199
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
1-[(2R)-2-[(2S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95319673
(1R)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95618047
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779

Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid (CID 62059910) is 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2nc(-c3ccsc3)no2)nn1.
What is the InChIKey of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is AHKOJLRRKOOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c16-10(17)7-3-15(14-12-7)4-8-11-9(13-18-8)6-1-2-19-5-6/h1-3,5H,4H2,(H,16,17).
What are the key properties of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62059910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).