5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C14H20N4O2 — CID 102790965

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CC3CCCCC3N2)n1
InChIInChI=1S/C14H20N4O2/c19-13(15-9-5-6-9)12-17-14(20-18-12)11-7-8-3-1-2-4-10(8)16-11/h8-11,16H,1-7H2,(H,15,19)
InChIKeyJHYOEFKKPVGLDB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds3

About 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790965) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790965
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CC3CCCCC3N2)n1
InChIInChI=1S/C14H20N4O2/c19-13(15-9-5-6-9)12-17-14(20-18-12)11-7-8-3-1-2-4-10(8)16-11/h8-11,16H,1-7H2,(H,15,19)
InChIKeyJHYOEFKKPVGLDB-UHFFFAOYSA-N
XLogP1.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790727
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970936
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806784
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129334901
N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790954
5-(2-cyanocyclopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527873
ethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 115970564
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-butyl-1,2,4-oxadiazole
CID 79404883
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 61392856
4-[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807491

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790965) is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(C2CC3CCCCC3N2)n1.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JHYOEFKKPVGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(15-9-5-6-9)12-17-14(20-18-12)11-7-8-3-1-2-4-10(8)16-11/h8-11,16H,1-7H2,(H,15,19).
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).