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

C11H11N3O3 — CID 114374304

IUPAC4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCn1nccc1-c1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C11H11N3O3/c1-14-7(4-5-12-14)10-13-8(6-2-3-6)9(17-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyZWMYETHPJPNJKZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.65
Rot. Bonds3

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

4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374304) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374304
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCn1nccc1-c1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C11H11N3O3/c1-14-7(4-5-12-14)10-13-8(6-2-3-6)9(17-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyZWMYETHPJPNJKZ-UHFFFAOYSA-N
XLogP1.65
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373627
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114026696
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554378
4-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115051291

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid (CID 114374304) is 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid is Cn1nccc1-c1nc(C2CC2)c(C(=O)O)o1.
What is the InChIKey of 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZWMYETHPJPNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14-7(4-5-12-14)10-13-8(6-2-3-6)9(17-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).