2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole

C15H20N4O — CID 126787764

IUPAC2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(CC)c3ccccc32)o1
InChIInChI=1S/C15H20N4O/c1-3-14-16-17-15(20-14)11-19-10-9-18(4-2)12-7-5-6-8-13(12)19/h5-8H,3-4,9-11H2,1-2H3
InChIKeyMEXUAOMFVJIETO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds4

About 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole

2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 126787764) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID126787764
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(CC)c3ccccc32)o1
InChIInChI=1S/C15H20N4O/c1-3-14-16-17-15(20-14)11-19-10-9-18(4-2)12-7-5-6-8-13(12)19/h5-8H,3-4,9-11H2,1-2H3
InChIKeyMEXUAOMFVJIETO-UHFFFAOYSA-N
XLogP2.48
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole (CID 126787764) is 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCN(CC)c3ccccc32)o1.
What is the InChIKey of 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is MEXUAOMFVJIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-14-16-17-15(20-14)11-19-10-9-18(4-2)12-7-5-6-8-13(12)19/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 126787764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).