N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide

C15H16N4O2 — CID 102790954

IUPACN-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H16N4O2/c20-14(17-11-5-6-11)13-18-15(21-19-13)12-7-9-3-1-2-4-10(9)8-16-12/h1-4,11-12,16H,5-8H2,(H,17,20)/t12-/m0/s1
InChIKeyDVKQYLUXINWUEO-LBPRGKRZSA-N
MW284.32 g/mol
LogP1.35
Rot. Bonds3

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

N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790954) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790954
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H16N4O2/c20-14(17-11-5-6-11)13-18-15(21-19-13)12-7-9-3-1-2-4-10(9)8-16-12/h1-4,11-12,16H,5-8H2,(H,17,20)/t12-/m0/s1
InChIKeyDVKQYLUXINWUEO-LBPRGKRZSA-N
XLogP1.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-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

5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790405
N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790764
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
3-(1-methylcyclopropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895668
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970936
N-cyclopropyl-5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328356
3-(methylsulfonylmethyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895631
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790965
3-butyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 79404336
3-(3-methoxypropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895641
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 28539833

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide (CID 102790954) is N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc([C@@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DVKQYLUXINWUEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(17-11-5-6-11)13-18-15(21-19-13)12-7-9-3-1-2-4-10(9)8-16-12/h1-4,11-12,16H,5-8H2,(H,17,20)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).