2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one

C15H16N4O3 — CID 16669275

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one
SMILESO=C(Cn1nc2oc3ccccc3n2c1=O)N1CCCCC1
InChIInChI=1S/C15H16N4O3/c20-13(17-8-4-1-5-9-17)10-18-15(21)19-11-6-2-3-7-12(11)22-14(19)16-18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyNYLCSEASRHLDFZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.25
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one

2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one (PubChem CID 16669275) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one
PubChem CID16669275
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one
SMILESO=C(Cn1nc2oc3ccccc3n2c1=O)N1CCCCC1
InChIInChI=1S/C15H16N4O3/c20-13(17-8-4-1-5-9-17)10-18-15(21)19-11-6-2-3-7-12(11)22-14(19)16-18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyNYLCSEASRHLDFZ-UHFFFAOYSA-N
XLogP1.25
TPSA72.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16676033
4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16669120
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-3-carbonitrile
CID 99782830
2-[2-(azepan-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 44895013
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one (CID 16669275) is 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one is O=C(Cn1nc2oc3ccccc3n2c1=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one?
The InChIKey is NYLCSEASRHLDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-13(17-8-4-1-5-9-17)10-18-15(21)19-11-6-2-3-7-12(11)22-14(19)16-18/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one?
2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one has a molecular weight of 300.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one is sourced from PubChem (CID 16669275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).