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

C12H12N4O2 — CID 102790355

IUPAC5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C12H12N4O2/c13-10(17)11-15-12(18-16-11)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,14H,4-6H2,(H2,13,17)
InChIKeyBTYBBRQPDJBXMS-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.48
Rot. Bonds2

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

5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790355) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790355
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C12H12N4O2/c13-10(17)11-15-12(18-16-11)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,14H,4-6H2,(H2,13,17)
InChIKeyBTYBBRQPDJBXMS-UHFFFAOYSA-N
XLogP0.48
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559114
3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116701672
3-[cyclopropyl(methoxy)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116703411
3-(oxan-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559129
5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922
5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790109
5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790172
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102790355) is 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(-c2cccc3c2CCNC3)n1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BTYBBRQPDJBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-10(17)11-15-12(18-16-11)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,14H,4-6H2,(H2,13,17).
What are the key properties of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).