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

C11H13N3O3 — CID 112671315

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1nn(C)cc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-4-8-7(5-14(3)12-8)10-9(11(15)16)6(2)17-13-10/h5H,4H2,1-3H3,(H,15,16)
InChIKeyLGTMRGOQXMVHOB-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.64
Rot. Bonds3

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

3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 112671315) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID112671315
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1nn(C)cc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-4-8-7(5-14(3)12-8)10-9(11(15)16)6(2)17-13-10/h5H,4H2,1-3H3,(H,15,16)
InChIKeyLGTMRGOQXMVHOB-UHFFFAOYSA-N
XLogP1.64
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
CID 83094155
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CID 86037624
3-chloro-5-(3-ethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107957714
2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzoic acid
CID 66007874
3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 66009716
3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 82371650
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725069
5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 102811182
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 112671315) is 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid is CCc1nn(C)cc1-c1noc(C)c1C(=O)O.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LGTMRGOQXMVHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-8-7(5-14(3)12-8)10-9(11(15)16)6(2)17-13-10/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.64, 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-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112671315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).