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

C15H19N3O2 — CID 116701672

IUPAC3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C15H19N3O2/c1-3-13(19-2)14-17-15(20-18-14)12-6-4-5-10-9-16-8-7-11(10)12/h4-6,13,16H,3,7-9H2,1-2H3
InChIKeyUOMGFVXYQLNKCL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.48
Rot. Bonds4

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

3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole (PubChem CID 116701672) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
PubChem CID116701672
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C15H19N3O2/c1-3-13(19-2)14-17-15(20-18-14)12-6-4-5-10-9-16-8-7-11(10)12/h4-6,13,16H,3,7-9H2,1-2H3
InChIKeyUOMGFVXYQLNKCL-UHFFFAOYSA-N
XLogP2.48
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(methoxy)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116703411
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826903
3-tert-butyl-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559097
N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104559134
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704768
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136965177
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
3-(oxan-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559129

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole (CID 116701672) is 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole is CCC(OC)c1noc(-c2cccc3c2CCNC3)n1.
What is the InChIKey of 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
The InChIKey is UOMGFVXYQLNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-13(19-2)14-17-15(20-18-14)12-6-4-5-10-9-16-8-7-11(10)12/h4-6,13,16H,3,7-9H2,1-2H3.
What are the key properties of 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole?
3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116701672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).