1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

C16H16N4O3 — CID 53065136

IUPAC1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
SMILESCc1nc2cc(-c3noc(C4CCCO4)n3)ccc2n(C)c1=O
InChIInChI=1S/C16H16N4O3/c1-9-16(21)20(2)12-6-5-10(8-11(12)17-9)14-18-15(23-19-14)13-4-3-7-22-13/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyWDLWNHCICCVDNS-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.14
Rot. Bonds2

About 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (PubChem CID 53065136) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
PubChem CID53065136
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
SMILESCc1nc2cc(-c3noc(C4CCCO4)n3)ccc2n(C)c1=O
InChIInChI=1S/C16H16N4O3/c1-9-16(21)20(2)12-6-5-10(8-11(12)17-9)14-18-15(23-19-14)13-4-3-7-22-13/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyWDLWNHCICCVDNS-UHFFFAOYSA-N
XLogP2.14
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
3-methyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-propylquinoxalin-2-one
CID 53065236
1-ethyl-3-methyl-6-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067719
1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 92746553
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
6-[5-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methylquinoxalin-2-one
CID 95067745
6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one
CID 156695639
1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065362
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one
CID 53005922

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The IUPAC name of 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (CID 53065136) is 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.
What is the SMILES notation for 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The canonical SMILES for 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is Cc1nc2cc(-c3noc(C4CCCO4)n3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The InChIKey is WDLWNHCICCVDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9-16(21)20(2)12-6-5-10(8-11(12)17-9)14-18-15(23-19-14)13-4-3-7-22-13/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one has a molecular weight of 312.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is sourced from PubChem (CID 53065136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).