2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole

C12H14N4O — CID 135388939

IUPAC2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3c(c2)N(C)CCN3)o1
InChIInChI=1S/C12H14N4O/c1-8-14-15-12(17-8)9-3-4-10-11(7-9)16(2)6-5-13-10/h3-4,7,13H,5-6H2,1-2H3
InChIKeyYRZLFQBUQQXKJB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.91
Rot. Bonds1

About 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole

2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole (PubChem CID 135388939) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole
PubChem CID135388939
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3c(c2)N(C)CCN3)o1
InChIInChI=1S/C12H14N4O/c1-8-14-15-12(17-8)9-3-4-10-11(7-9)16(2)6-5-13-10/h3-4,7,13H,5-6H2,1-2H3
InChIKeyYRZLFQBUQQXKJB-UHFFFAOYSA-N
XLogP1.91
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole (CID 135388939) is 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole is Cc1nnc(-c2ccc3c(c2)N(C)CCN3)o1.
What is the InChIKey of 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole?
The InChIKey is YRZLFQBUQQXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-14-15-12(17-8)9-3-4-10-11(7-9)16(2)6-5-13-10/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole?
2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).