N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C20H26N4O2 — CID 86286464

IUPACN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCCc1noc(C2CCCC2)n1
InChIInChI=1S/C20H26N4O2/c25-19(14-24-12-10-15-5-1-4-8-17(15)13-24)21-11-9-18-22-20(26-23-18)16-6-2-3-7-16/h1,4-5,8,16H,2-3,6-7,9-14H2,(H,21,25)
InChIKeyRLOKEVLDDDBTIE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 86286464) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID86286464
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCCc1noc(C2CCCC2)n1
InChIInChI=1S/C20H26N4O2/c25-19(14-24-12-10-15-5-1-4-8-17(15)13-24)21-11-9-18-22-20(26-23-18)16-6-2-3-7-16/h1,4-5,8,16H,2-3,6-7,9-14H2,(H,21,25)
InChIKeyRLOKEVLDDDBTIE-UHFFFAOYSA-N
XLogP2.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90649792
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
2-(benzimidazol-1-yl)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 86283996
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 118570626
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
CID 118785087
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109000031
3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 135113044
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 77087696
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 86286464) is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)NCCc1noc(C2CCCC2)n1.
What is the InChIKey of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is RLOKEVLDDDBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(14-24-12-10-15-5-1-4-8-17(15)13-24)21-11-9-18-22-20(26-23-18)16-6-2-3-7-16/h1,4-5,8,16H,2-3,6-7,9-14H2,(H,21,25).
What are the key properties of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 86286464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).