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

C17H24N4O — CID 99829941

IUPAC2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(C(C)(C)C)c3ccccc32)o1
InChIInChI=1S/C17H24N4O/c1-5-15-18-19-16(22-15)12-20-10-11-21(17(2,3)4)14-9-7-6-8-13(14)20/h6-9H,5,10-12H2,1-4H3
InChIKeyCJNXKNZKPBUFBJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.26
Rot. Bonds3

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

2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 99829941) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID99829941
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(C(C)(C)C)c3ccccc32)o1
InChIInChI=1S/C17H24N4O/c1-5-15-18-19-16(22-15)12-20-10-11-21(17(2,3)4)14-9-7-6-8-13(14)20/h6-9H,5,10-12H2,1-4H3
InChIKeyCJNXKNZKPBUFBJ-UHFFFAOYSA-N
XLogP3.26
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (CID 99829941) is 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CN2CCN(C(C)(C)C)c3ccccc32)o1.
What is the InChIKey of 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is CJNXKNZKPBUFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-15-18-19-16(22-15)12-20-10-11-21(17(2,3)4)14-9-7-6-8-13(14)20/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 300.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 99829941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).