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

C10H7N5O3S — CID 55135948

IUPAC1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2nnc(-c3cccs3)o2)nn1
InChIInChI=1S/C10H7N5O3S/c16-10(17)6-4-15(14-11-6)5-8-12-13-9(18-8)7-2-1-3-19-7/h1-4H,5H2,(H,16,17)
InChIKeyGORXBGWGJJAKOS-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.14
Rot. Bonds4

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

1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 55135948) has the molecular formula C10H7N5O3S and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID55135948
Molecular FormulaC10H7N5O3S
Molecular Weight277.26 g/mol
Exact Mass277.03
IUPAC Name1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2nnc(-c3cccs3)o2)nn1
InChIInChI=1S/C10H7N5O3S/c16-10(17)6-4-15(14-11-6)5-8-12-13-9(18-8)7-2-1-3-19-7/h1-4H,5H2,(H,16,17)
InChIKeyGORXBGWGJJAKOS-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

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62060734
2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598750
1-[(3-bromothiophen-2-yl)methyl]triazole-4-carboxylic acid
CID 62059443
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzoic acid
CID 43092573
(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 54945171
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4881194
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769574
methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate
CID 78993394

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid (CID 55135948) is 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2nnc(-c3cccs3)o2)nn1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is GORXBGWGJJAKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c16-10(17)6-4-15(14-11-6)5-8-12-13-9(18-8)7-2-1-3-19-7/h1-4H,5H2,(H,16,17).
What are the key properties of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 55135948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).