3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole

C15H18N4O — CID 116807015

IUPAC3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCNC2c1nc(N2CCCC2)no1
InChIInChI=1S/C15H18N4O/c1-2-6-12-11(5-1)7-8-16-13(12)14-17-15(18-20-14)19-9-3-4-10-19/h1-2,5-6,13,16H,3-4,7-10H2
InChIKeySEIYYQGTWRMBEK-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.90
Rot. Bonds2

About 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole

3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole (PubChem CID 116807015) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole
PubChem CID116807015
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCNC2c1nc(N2CCCC2)no1
InChIInChI=1S/C15H18N4O/c1-2-6-12-11(5-1)7-8-16-13(12)14-17-15(18-20-14)19-9-3-4-10-19/h1-2,5-6,13,16H,3-4,7-10H2
InChIKeySEIYYQGTWRMBEK-UHFFFAOYSA-N
XLogP1.90
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole (CID 116807015) is 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole is c1ccc2c(c1)CCNC2c1nc(N2CCCC2)no1.
What is the InChIKey of 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole?
The InChIKey is SEIYYQGTWRMBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-6-12-11(5-1)7-8-16-13(12)14-17-15(18-20-14)19-9-3-4-10-19/h1-2,5-6,13,16H,3-4,7-10H2.
What are the key properties of 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole?
3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole has a molecular weight of 270.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).