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

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Related Compounds

5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72933681
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72915693
3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
CID 97454852
3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 97434115
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72891945
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339

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).