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

C12H12N4O2 — CID 102790405

IUPAC5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc([C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C12H12N4O2/c13-10(17)11-15-12(18-16-11)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,9,14H,5-6H2,(H2,13,17)/t9-/m1/s1
InChIKeyZNGTVQMIDIPDQC-SECBINFHSA-N
MW244.25 g/mol
LogP0.56
Rot. Bonds2

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

5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790405) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790405
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc([C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C12H12N4O2/c13-10(17)11-15-12(18-16-11)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,9,14H,5-6H2,(H2,13,17)/t9-/m1/s1
InChIKeyZNGTVQMIDIPDQC-SECBINFHSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790954
3-(1-methylcyclopropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895668
3-(methylsulfonylmethyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895631
3-butyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 79404336
N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116806191
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 28539833
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 104915425
3-(3-methoxypropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895641
3-(1,4-dithian-2-yl)-5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104915398
5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790119
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide (CID 102790405) is 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc([C@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZNGTVQMIDIPDQC-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-10(17)11-15-12(18-16-11)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,9,14H,5-6H2,(H2,13,17)/t9-/m1/s1.
What are the key properties of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).