2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide

C13H20Br2N4O — CID 11452552

IUPAC2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
SMILESBr.Br.CCCN1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C13H18N4O.2BrH/c1-2-6-16-7-9-17(10-8-16)13-15-12-11(18-13)4-3-5-14-12;;/h3-5H,2,6-10H2,1H3;2*1H
InChIKeyBUZDUOMPXVAGJC-UHFFFAOYSA-N
MW408.14 g/mol
LogP2.91
Rot. Bonds3

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

2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide (PubChem CID 11452552) has the molecular formula C13H20Br2N4O and a molecular weight of 408.14 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
PubChem CID11452552
Molecular FormulaC13H20Br2N4O
Molecular Weight408.14 g/mol
Exact Mass406.00
IUPAC Name2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
SMILESBr.Br.CCCN1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C13H18N4O.2BrH/c1-2-6-16-7-9-17(10-8-16)13-15-12-11(18-13)4-3-5-14-12;;/h3-5H,2,6-10H2,1H3;2*1H
InChIKeyBUZDUOMPXVAGJC-UHFFFAOYSA-N
XLogP2.91
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 52.91
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-b]pyridine;dihydrobromide?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide (CID 11452552) is 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide is Br.Br.CCCN1CCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide?
The InChIKey is BUZDUOMPXVAGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.2BrH/c1-2-6-16-7-9-17(10-8-16)13-15-12-11(18-13)4-3-5-14-12;;/h3-5H,2,6-10H2,1H3;2*1H.
What are the key properties of 2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide?
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide has a molecular weight of 408.14 g/mol, XLogP of 2.91, 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-b]pyridine;dihydrobromide is sourced from PubChem (CID 11452552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).