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

C11H15N3O3 — CID 102725069

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCCc1nn(C)cc1C1=NOC(C)(C(=O)O)C1
InChIInChI=1S/C11H15N3O3/c1-4-8-7(6-14(3)12-8)9-5-11(2,10(15)16)17-13-9/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyJMZKQKQSQYTVHM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.95
Rot. Bonds3

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

3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725069) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725069
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCCc1nn(C)cc1C1=NOC(C)(C(=O)O)C1
InChIInChI=1S/C11H15N3O3/c1-4-8-7(6-14(3)12-8)9-5-11(2,10(15)16)17-13-9/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyJMZKQKQSQYTVHM-UHFFFAOYSA-N
XLogP0.95
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 53323582
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725051
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 112671315
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(2,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693699
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid
CID 102725022
3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 66009716
(5S)-5-methyl-3-(4-propan-2-ylphenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658934
2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
3-chloro-5-(3-ethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107957714

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 102725069) is 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is CCc1nn(C)cc1C1=NOC(C)(C(=O)O)C1.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is JMZKQKQSQYTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-8-7(6-14(3)12-8)9-5-11(2,10(15)16)17-13-9/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).