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

C15H16N4O2 — CID 102790764

IUPACN-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CNCc3ccccc32)n1
InChIInChI=1S/C15H16N4O2/c20-14(17-10-5-6-10)13-18-15(21-19-13)12-8-16-7-9-3-1-2-4-11(9)12/h1-4,10,12,16H,5-8H2,(H,17,20)
InChIKeyROWXTZROZLDDES-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.20
Rot. Bonds3

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

N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790764) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790764
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CNCc3ccccc32)n1
InChIInChI=1S/C15H16N4O2/c20-14(17-10-5-6-10)13-18-15(21-19-13)12-8-16-7-9-3-1-2-4-11(9)12/h1-4,10,12,16H,5-8H2,(H,17,20)
InChIKeyROWXTZROZLDDES-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-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-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65263054
3-(3-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65262857
3-(1-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 79613471
N-cyclopropyl-5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102791072
3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65262959
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
N-cyclopropyl-5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328356
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79377587
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
5-(2-cyanocyclopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527873
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790965

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102790764) is N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(C2CNCc3ccccc32)n1.
What is the InChIKey of N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ROWXTZROZLDDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(17-10-5-6-10)13-18-15(21-19-13)12-8-16-7-9-3-1-2-4-11(9)12/h1-4,10,12,16H,5-8H2,(H,17,20).
What are the key properties of N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).