5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid

C10H11N3O3 — CID 66120095

IUPAC5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCCn1nc(C)cc1-c1ocnc1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-3-13-7(4-6(2)12-13)9-8(10(14)15)11-5-16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyKQFUBOWQSSDZQA-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.56
Rot. Bonds3

About 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid

5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 66120095) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID66120095
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCCn1nc(C)cc1-c1ocnc1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-3-13-7(4-6(2)12-13)9-8(10(14)15)11-5-16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyKQFUBOWQSSDZQA-UHFFFAOYSA-N
XLogP1.56
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methanamine
CID 79139245
5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 130485647
5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 66128674
N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145594
5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 102802256
2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 82442699
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
CID 66121681
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615523

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid (CID 66120095) is 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid is CCn1nc(C)cc1-c1ocnc1C(=O)O.
What is the InChIKey of 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is KQFUBOWQSSDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-13-7(4-6(2)12-13)9-8(10(14)15)11-5-16-9/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66120095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).