2-(1H-pyrazol-5-yl)-1,3-oxazolidine

C6H9N3O — CID 54095627

IUPAC2-(1H-pyrazol-5-yl)-1,3-oxazolidine
SMILESc1cc(C2NCCO2)[nH]n1
InChIInChI=1S/C6H9N3O/c1-2-8-9-5(1)6-7-3-4-10-6/h1-2,6-7H,3-4H2,(H,8,9)
InChIKeyZIDNKLOLNSGEIM-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.03
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)-1,3-oxazolidine

2-(1H-pyrazol-5-yl)-1,3-oxazolidine (PubChem CID 54095627) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1,3-oxazolidine
PubChem CID54095627
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(1H-pyrazol-5-yl)-1,3-oxazolidine
SMILESc1cc(C2NCCO2)[nH]n1
InChIInChI=1S/C6H9N3O/c1-2-8-9-5(1)6-7-3-4-10-6/h1-2,6-7H,3-4H2,(H,8,9)
InChIKeyZIDNKLOLNSGEIM-UHFFFAOYSA-N
XLogP0.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-oxazolidine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-oxazolidine (CID 54095627) is 2-(1H-pyrazol-5-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1,3-oxazolidine is c1cc(C2NCCO2)[nH]n1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1,3-oxazolidine?
The InChIKey is ZIDNKLOLNSGEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-8-9-5(1)6-7-3-4-10-6/h1-2,6-7H,3-4H2,(H,8,9).
What are the key properties of 2-(1H-pyrazol-5-yl)-1,3-oxazolidine?
2-(1H-pyrazol-5-yl)-1,3-oxazolidine has a molecular weight of 139.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1,3-oxazolidine is sourced from PubChem (CID 54095627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).