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

C11H13N3O3 — CID 66121945

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCCc1cc(-c2nc(C(=O)O)c(C)o2)n(C)n1
InChIInChI=1S/C11H13N3O3/c1-4-7-5-8(14(3)13-7)10-12-9(11(15)16)6(2)17-10/h5H,4H2,1-3H3,(H,15,16)
InChIKeyIPKGPXNWWSEBKV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.64
Rot. Bonds3

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

2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 66121945) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID66121945
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCCc1cc(-c2nc(C(=O)O)c(C)o2)n(C)n1
InChIInChI=1S/C11H13N3O3/c1-4-7-5-8(14(3)13-7)10-12-9(11(15)16)6(2)17-10/h5H,4H2,1-3H3,(H,15,16)
InChIKeyIPKGPXNWWSEBKV-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 66121945) is 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is CCc1cc(-c2nc(C(=O)O)c(C)o2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is IPKGPXNWWSEBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-7-5-8(14(3)13-7)10-12-9(11(15)16)6(2)17-10/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-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 2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66121945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).