2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid

C8H7N3O3 — CID 103122282

IUPAC2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCn1ccc(-c2nc(C(=O)O)co2)n1
InChIInChI=1S/C8H7N3O3/c1-11-3-2-5(10-11)7-9-6(4-14-7)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyCQYVTIJCRYIZMH-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.77
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid

2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 103122282) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID103122282
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCn1ccc(-c2nc(C(=O)O)co2)n1
InChIInChI=1S/C8H7N3O3/c1-11-3-2-5(10-11)7-9-6(4-14-7)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyCQYVTIJCRYIZMH-UHFFFAOYSA-N
XLogP0.77
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 107974655
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 58443555
4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103123488
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867
2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 63748318
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
4-methyl-2-(1-methylpyrazol-3-yl)benzoic acid
CID 103131531
2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
CID 107940915
2-fluoro-3-(1-methylpyrazol-3-yl)benzoic acid
CID 107957601
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-chloro-4-(1-methylpyrazol-3-yl)benzoic acid
CID 10889933
2,4-dichloro-3-(1-methylpyrazol-3-yl)benzoic acid
CID 142642830

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid (CID 103122282) is 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid is Cn1ccc(-c2nc(C(=O)O)co2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is CQYVTIJCRYIZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-3-2-5(10-11)7-9-6(4-14-7)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 103122282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).