3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one

C16H16N4O3 — CID 72896419

IUPAC3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CCc1nc(C2CCOC2)no1
InChIInChI=1S/C16H16N4O3/c21-16-13(17-11-3-1-2-4-12(11)18-16)5-6-14-19-15(20-23-14)10-7-8-22-9-10/h1-4,10H,5-9H2,(H,18,21)
InChIKeyLBIWLDGKYPMQSE-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.60
Rot. Bonds4

About 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one

3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one (PubChem CID 72896419) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
PubChem CID72896419
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CCc1nc(C2CCOC2)no1
InChIInChI=1S/C16H16N4O3/c21-16-13(17-11-3-1-2-4-12(11)18-16)5-6-14-19-15(20-23-14)10-7-8-22-9-10/h1-4,10H,5-9H2,(H,18,21)
InChIKeyLBIWLDGKYPMQSE-UHFFFAOYSA-N
XLogP1.60
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one (CID 72896419) is 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1CCc1nc(C2CCOC2)no1.
What is the InChIKey of 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The InChIKey is LBIWLDGKYPMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-16-13(17-11-3-1-2-4-12(11)18-16)5-6-14-19-15(20-23-14)10-7-8-22-9-10/h1-4,10H,5-9H2,(H,18,21).
What are the key properties of 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one has a molecular weight of 312.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 72896419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).