3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid

C13H10N4O4 — CID 174278052

IUPAC3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(=O)Nc2ccc3cn[nH]c3c2)c1C(=O)O
InChIInChI=1S/C13H10N4O4/c1-6-10(13(19)20)11(17-21-6)12(18)15-8-3-2-7-5-14-16-9(7)4-8/h2-5H,1H3,(H,14,16)(H,15,18)(H,19,20)
InChIKeyNTVGIOGZZJXOTN-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.81
Rot. Bonds3

About 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 174278052) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID174278052
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(=O)Nc2ccc3cn[nH]c3c2)c1C(=O)O
InChIInChI=1S/C13H10N4O4/c1-6-10(13(19)20)11(17-21-6)12(18)15-8-3-2-7-5-14-16-9(7)4-8/h2-5H,1H3,(H,14,16)(H,15,18)(H,19,20)
InChIKeyNTVGIOGZZJXOTN-UHFFFAOYSA-N
XLogP1.81
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692000
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
N-(1H-indazol-6-yl)-6-methylpyridazine-3-carboxamide
CID 110705354
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 174278052) is 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(C(=O)Nc2ccc3cn[nH]c3c2)c1C(=O)O.
What is the InChIKey of 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is NTVGIOGZZJXOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c1-6-10(13(19)20)11(17-21-6)12(18)15-8-3-2-7-5-14-16-9(7)4-8/h2-5H,1H3,(H,14,16)(H,15,18)(H,19,20).
What are the key properties of 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 286.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-ylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 174278052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).