2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine

C13H18N4O — CID 11154035

IUPAC2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCCCN1CCN(c2nc3cnccc3o2)CC1
InChIInChI=1S/C13H18N4O/c1-2-5-16-6-8-17(9-7-16)13-15-11-10-14-4-3-12(11)18-13/h3-4,10H,2,5-9H2,1H3
InChIKeyLETRVEICZLOSLJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine

2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 11154035) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID11154035
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCCCN1CCN(c2nc3cnccc3o2)CC1
InChIInChI=1S/C13H18N4O/c1-2-5-16-6-8-17(9-7-16)13-15-11-10-14-4-3-12(11)18-13/h3-4,10H,2,5-9H2,1H3
InChIKeyLETRVEICZLOSLJ-UHFFFAOYSA-N
XLogP1.75
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine (CID 11154035) is 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine is CCCN1CCN(c2nc3cnccc3o2)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is LETRVEICZLOSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-5-16-6-8-17(9-7-16)13-15-11-10-14-4-3-12(11)18-13/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine?
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 11154035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).