1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone

C13H16N4O2 — CID 70611830

IUPAC1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2onc(C)c2c1N1CCNCC1
InChIInChI=1S/C13H16N4O2/c1-8-11-12(17-5-3-14-4-6-17)10(9(2)18)7-15-13(11)19-16-8/h7,14H,3-6H2,1-2H3
InChIKeyWZJDZXUGTKJJEF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.14
Rot. Bonds2

About 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone

1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone (PubChem CID 70611830) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone
PubChem CID70611830
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2onc(C)c2c1N1CCNCC1
InChIInChI=1S/C13H16N4O2/c1-8-11-12(17-5-3-14-4-6-17)10(9(2)18)7-15-13(11)19-16-8/h7,14H,3-6H2,1-2H3
InChIKeyWZJDZXUGTKJJEF-UHFFFAOYSA-N
XLogP1.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone (CID 70611830) is 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone is CC(=O)c1cnc2onc(C)c2c1N1CCNCC1.
What is the InChIKey of 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone?
The InChIKey is WZJDZXUGTKJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11-12(17-5-3-14-4-6-17)10(9(2)18)7-15-13(11)19-16-8/h7,14H,3-6H2,1-2H3.
What are the key properties of 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone?
1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone has a molecular weight of 260.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-piperazin-1-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 70611830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).