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

C15H17N3O2 — CID 104559126

IUPAC3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
SMILESc1cc2c(c(-c3nc(C4CCCO4)no3)c1)CCNC2
InChIInChI=1S/C15H17N3O2/c1-3-10-9-16-7-6-11(10)12(4-1)15-17-14(18-20-15)13-5-2-8-19-13/h1,3-4,13,16H,2,5-9H2
InChIKeyAUQODINPVMSCNU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.23
Rot. Bonds2

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

3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole (PubChem CID 104559126) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
PubChem CID104559126
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
SMILESc1cc2c(c(-c3nc(C4CCCO4)no3)c1)CCNC2
InChIInChI=1S/C15H17N3O2/c1-3-10-9-16-7-6-11(10)12(4-1)15-17-14(18-20-15)13-5-2-8-19-13/h1,3-4,13,16H,2,5-9H2
InChIKeyAUQODINPVMSCNU-UHFFFAOYSA-N
XLogP2.23
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole (CID 104559126) is 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole is c1cc2c(c(-c3nc(C4CCCO4)no3)c1)CCNC2.
What is the InChIKey of 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
The InChIKey is AUQODINPVMSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-10-9-16-7-6-11(10)12(4-1)15-17-14(18-20-15)13-5-2-8-19-13/h1,3-4,13,16H,2,5-9H2.
What are the key properties of 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104559126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).