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

C10H11N3O3 — CID 19620906

IUPAC5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)no2)c(C)n1
InChIInChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyZFNPUDXDCPKDFW-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.56
Rot. Bonds3

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

5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 19620906) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID19620906
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)no2)c(C)n1
InChIInChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyZFNPUDXDCPKDFW-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-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid
CID 79684216
ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 23005595
5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117404780
5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958515
3-chloro-4-(1-ethyl-3-methylpyrazol-4-yl)benzoic acid
CID 81308147
4-chloro-3-(1-ethyl-3-methylpyrazol-4-yl)benzoic acid
CID 114024744
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
2-[4-bromo-3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]acetic acid
CID 19621337
5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117385140
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid (CID 19620906) is 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid is CCn1cc(-c2cc(C(=O)O)no2)c(C)n1.
What is the InChIKey of 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZFNPUDXDCPKDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-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-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 19620906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).