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

C17H22N4O — CID 71867431

IUPAC2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(CC3CC3)c3ccccc32)o1
InChIInChI=1S/C17H22N4O/c1-2-16-18-19-17(22-16)12-21-10-9-20(11-13-7-8-13)14-5-3-4-6-15(14)21/h3-6,13H,2,7-12H2,1H3
InChIKeyJTYZLYQFSUYKLE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds5

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

2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 71867431) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID71867431
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(CC3CC3)c3ccccc32)o1
InChIInChI=1S/C17H22N4O/c1-2-16-18-19-17(22-16)12-21-10-9-20(11-13-7-8-13)14-5-3-4-6-15(14)21/h3-6,13H,2,7-12H2,1H3
InChIKeyJTYZLYQFSUYKLE-UHFFFAOYSA-N
XLogP2.87
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (CID 71867431) is 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CN2CCN(CC3CC3)c3ccccc32)o1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is JTYZLYQFSUYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-16-18-19-17(22-16)12-21-10-9-20(11-13-7-8-13)14-5-3-4-6-15(14)21/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 71867431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).