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

C16H23N5O2 — CID 90649792

IUPACN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCCc2noc(C3CCCC3)n2)c1C
InChIInChI=1S/C16H23N5O2/c1-11-12(2)21(10-18-11)9-15(22)17-8-7-14-19-16(23-20-14)13-5-3-4-6-13/h10,13H,3-9H2,1-2H3,(H,17,22)
InChIKeyJSGAGHIFSZABFU-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.90
Rot. Bonds6

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

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 90649792) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID90649792
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCCc2noc(C3CCCC3)n2)c1C
InChIInChI=1S/C16H23N5O2/c1-11-12(2)21(10-18-11)9-15(22)17-8-7-14-19-16(23-20-14)13-5-3-4-6-13/h10,13H,3-9H2,1-2H3,(H,17,22)
InChIKeyJSGAGHIFSZABFU-UHFFFAOYSA-N
XLogP1.90
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 86286464
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
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-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 77087696
2-(benzimidazol-1-yl)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 86283996
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethoxypropanamide
CID 126436754
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
CID 118785087
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121494301
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methyloxolane-2-carboxamide
CID 126446991

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 90649792) is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)NCCc2noc(C3CCCC3)n2)c1C.
What is the InChIKey of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is JSGAGHIFSZABFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-12(2)21(10-18-11)9-15(22)17-8-7-14-19-16(23-20-14)13-5-3-4-6-13/h10,13H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 90649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).