5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one

C12H14N4O2 — CID 146425094

IUPAC5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CCN(C)c2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C12H14N4O2/c1-15-5-6-16(2)10-7-8(3-4-9(10)15)11-13-14-12(17)18-11/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyAKGIMWQJPJQMLA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.92
Rot. Bonds1

About 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one

5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146425094) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146425094
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CCN(C)c2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C12H14N4O2/c1-15-5-6-16(2)10-7-8(3-4-9(10)15)11-13-14-12(17)18-11/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyAKGIMWQJPJQMLA-UHFFFAOYSA-N
XLogP0.92
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one (CID 146425094) is 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one is CN1CCN(C)c2cc(-c3n[nH]c(=O)o3)ccc21.
What is the InChIKey of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is AKGIMWQJPJQMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-5-6-16(2)10-7-8(3-4-9(10)15)11-13-14-12(17)18-11/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146425094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).