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

C9H12N2O4 — CID 150525086

IUPAC2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCCO)O2
InChIInChI=1S/C9H12N2O4/c12-3-1-2-6-5-11-8(15-6)4-7(10-11)9(13)14/h4,6,12H,1-3,5H2,(H,13,14)
InChIKeyICQHGSNLNQNHTM-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.11
Rot. Bonds4

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

2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (PubChem CID 150525086) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
PubChem CID150525086
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCCO)O2
InChIInChI=1S/C9H12N2O4/c12-3-1-2-6-5-11-8(15-6)4-7(10-11)9(13)14/h4,6,12H,1-3,5H2,(H,13,14)
InChIKeyICQHGSNLNQNHTM-UHFFFAOYSA-N
XLogP0.11
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The IUPAC name of 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (CID 150525086) is 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CC(CCCO)O2.
What is the InChIKey of 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The InChIKey is ICQHGSNLNQNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-3-1-2-6-5-11-8(15-6)4-7(10-11)9(13)14/h4,6,12H,1-3,5H2,(H,13,14).
What are the key properties of 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is sourced from PubChem (CID 150525086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).