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

C12H10N4O3 — CID 63106292

IUPAC1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
SMILESCc1nnc(Cn2nc(C(=O)O)c3ccccc32)o1
InChIInChI=1S/C12H10N4O3/c1-7-13-14-10(19-7)6-16-9-5-3-2-4-8(9)11(15-16)12(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKeyLFOFBGYOUJBOKT-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.47
Rot. Bonds3

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

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid (PubChem CID 63106292) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
PubChem CID63106292
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
SMILESCc1nnc(Cn2nc(C(=O)O)c3ccccc32)o1
InChIInChI=1S/C12H10N4O3/c1-7-13-14-10(19-7)6-16-9-5-3-2-4-8(9)11(15-16)12(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKeyLFOFBGYOUJBOKT-UHFFFAOYSA-N
XLogP1.47
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
CID 28783031
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55177822
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
CID 64771668
1-benzylindazole-3-carboxylate
CID 22239042
1-(2-methylidenebutyl)indazole-3-carboxylic acid
CID 66045729
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642471

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid (CID 63106292) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid is Cc1nnc(Cn2nc(C(=O)O)c3ccccc32)o1.
What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid?
The InChIKey is LFOFBGYOUJBOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-7-13-14-10(19-7)6-16-9-5-3-2-4-8(9)11(15-16)12(17)18/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid?
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 63106292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).