2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid

C10H11N3O4 — CID 116800857

IUPAC2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid
SMILESCC(C)n1cc(Oc2nc(C(=O)O)co2)cn1
InChIInChI=1S/C10H11N3O4/c1-6(2)13-4-7(3-11-13)17-10-12-8(5-16-10)9(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyWHAJGXMZVBNBOC-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.94
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid

2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid (PubChem CID 116800857) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid
PubChem CID116800857
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid
SMILESCC(C)n1cc(Oc2nc(C(=O)O)co2)cn1
InChIInChI=1S/C10H11N3O4/c1-6(2)13-4-7(3-11-13)17-10-12-8(5-16-10)9(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyWHAJGXMZVBNBOC-UHFFFAOYSA-N
XLogP1.94
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazol-4-yl]methanamine
CID 116803107
6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116804006
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 116799953
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 105380111
5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde
CID 116801890
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106
2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
CID 116801169
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid (CID 116800857) is 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid is CC(C)n1cc(Oc2nc(C(=O)O)co2)cn1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is WHAJGXMZVBNBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6(2)13-4-7(3-11-13)17-10-12-8(5-16-10)9(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid?
2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 116800857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).