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

C11H13N3O3 — CID 114373627

IUPAC2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2ccnn2C)oc1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-6(2)8-9(11(15)16)17-10(13-8)7-4-5-12-14(7)3/h4-6H,1-3H3,(H,15,16)
InChIKeyHZPCRUPWDHJTGJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.90
Rot. Bonds3

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

2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373627) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID114373627
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2ccnn2C)oc1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-6(2)8-9(11(15)16)17-10(13-8)7-4-5-12-14(7)3/h4-6H,1-3H3,(H,15,16)
InChIKeyHZPCRUPWDHJTGJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-(5-bromofuran-2-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373776
2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373683
2-(2-chloro-3-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373711
2-(4-bromo-2-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373702
ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199471
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
2-(3-bromo-5-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 107942088
4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid
CID 118408813
1-butan-2-yl-5-(2-methylpyrazol-3-yl)triazole-4-carboxylic acid
CID 165474487
2-[2-(4-methylphenyl)ethyl]-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373559
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (CID 114373627) is 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is CC(C)c1nc(-c2ccnn2C)oc1C(=O)O.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is HZPCRUPWDHJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(2)8-9(11(15)16)17-10(13-8)7-4-5-12-14(7)3/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).