2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol

C13H15N3O2 — CID 104826903

IUPAC2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C13H15N3O2/c17-7-5-12-15-13(18-16-12)11-3-1-2-9-8-14-6-4-10(9)11/h1-3,14,17H,4-8H2
InChIKeyKHINNTDHHKLSBK-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.92
Rot. Bonds3

About 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol

2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104826903) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104826903
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C13H15N3O2/c17-7-5-12-15-13(18-16-12)11-3-1-2-9-8-14-6-4-10(9)11/h1-3,14,17H,4-8H2
InChIKeyKHINNTDHHKLSBK-UHFFFAOYSA-N
XLogP0.92
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104559134
3-tert-butyl-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559097
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355
3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116701672
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
3-[cyclopropyl(methoxy)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116703411
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559114
3-(oxan-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559129
2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827116
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288
5-(1,2,3,4-tetrahydroquinolin-5-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 79953382
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104826903) is 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is OCCc1noc(-c2cccc3c2CCNC3)n1.
What is the InChIKey of 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is KHINNTDHHKLSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-7-5-12-15-13(18-16-12)11-3-1-2-9-8-14-6-4-10(9)11/h1-3,14,17H,4-8H2.
What are the key properties of 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 245.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104826903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).