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

C8H7N3O3 — CID 118408813

IUPAC4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid
SMILESCn1nccc1-c1coc(C(=O)O)n1
InChIInChI=1S/C8H7N3O3/c1-11-6(2-3-9-11)5-4-14-7(10-5)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyFTCPWCBMTSKCND-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.77
Rot. Bonds2

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

4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid (PubChem CID 118408813) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid
PubChem CID118408813
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid
SMILESCn1nccc1-c1coc(C(=O)O)n1
InChIInChI=1S/C8H7N3O3/c1-11-6(2-3-9-11)5-4-14-7(10-5)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyFTCPWCBMTSKCND-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

4-pyridin-2-yl-1,3-oxazole-2-carboxylic acid
CID 67933620
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
CID 22677351
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470836
2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373627
2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 58226859
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid
CID 84672117

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid (CID 118408813) is 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid is Cn1nccc1-c1coc(C(=O)O)n1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is FTCPWCBMTSKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-6(2-3-9-11)5-4-14-7(10-5)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid?
4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-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 4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 118408813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).