1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C22H24N4O2 — CID 167866749

IUPAC1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ccc4c(n3)CCCC4)no2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c27-22(12-13-26(15-22)14-16-6-2-1-3-7-16)21-24-20(25-28-21)19-11-10-17-8-4-5-9-18(17)23-19/h1-3,6-7,10-11,27H,4-5,8-9,12-15H2
InChIKeyKAWBHBBBWWSTSM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.10
Rot. Bonds4

About 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 167866749) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID167866749
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ccc4c(n3)CCCC4)no2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c27-22(12-13-26(15-22)14-16-6-2-1-3-7-16)21-24-20(25-28-21)19-11-10-17-8-4-5-9-18(17)23-19/h1-3,6-7,10-11,27H,4-5,8-9,12-15H2
InChIKeyKAWBHBBBWWSTSM-UHFFFAOYSA-N
XLogP3.10
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 167866749) is 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(-c3ccc4c(n3)CCCC4)no2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is KAWBHBBBWWSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(12-13-26(15-22)14-16-6-2-1-3-7-16)21-24-20(25-28-21)19-11-10-17-8-4-5-9-18(17)23-19/h1-3,6-7,10-11,27H,4-5,8-9,12-15H2.
What are the key properties of 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 376.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 167866749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).