6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid

C10H14N2O3 — CID 119053821

IUPAC6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
SMILESCC(C)Cc1nn2c(c1C(=O)O)OCC2
InChIInChI=1S/C10H14N2O3/c1-6(2)5-7-8(10(13)14)9-12(11-7)3-4-15-9/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyVXAJLJRFEIECLN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.17
Rot. Bonds3

About 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid

6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid (PubChem CID 119053821) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
PubChem CID119053821
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
SMILESCC(C)Cc1nn2c(c1C(=O)O)OCC2
InChIInChI=1S/C10H14N2O3/c1-6(2)5-7-8(10(13)14)9-12(11-7)3-4-15-9/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyVXAJLJRFEIECLN-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
The IUPAC name of 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid (CID 119053821) is 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid.
What is the SMILES notation for 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
The canonical SMILES for 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid is CC(C)Cc1nn2c(c1C(=O)O)OCC2.
What is the InChIKey of 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
The InChIKey is VXAJLJRFEIECLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)5-7-8(10(13)14)9-12(11-7)3-4-15-9/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid is sourced from PubChem (CID 119053821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).