N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C21H34N4O3 — CID 91920784

IUPACN-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCC1c1nc(CCOCC2CCCC2)no1
InChIInChI=1S/C21H34N4O3/c26-21(22-17-9-2-1-3-10-17)25-13-6-11-18(25)20-23-19(24-28-20)12-14-27-15-16-7-4-5-8-16/h16-18H,1-15H2,(H,22,26)
InChIKeyFRPDENNFFXURNQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.00
Rot. Bonds7

About N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 91920784) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID91920784
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCC1c1nc(CCOCC2CCCC2)no1
InChIInChI=1S/C21H34N4O3/c26-21(22-17-9-2-1-3-10-17)25-13-6-11-18(25)20-23-19(24-28-20)12-14-27-15-16-7-4-5-8-16/h16-18H,1-15H2,(H,22,26)
InChIKeyFRPDENNFFXURNQ-UHFFFAOYSA-N
XLogP4.00
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 91909962
[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91920773
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 91909950
N-cyclohexyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4532643
(2R)-N-cyclohexyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057885
N-cyclopropyl-5-[(2S)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338909
(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057944
cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
(2R)-N-cyclohexyl-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070289
(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51984767
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91920794

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 91920784) is N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(NC1CCCCC1)N1CCCC1c1nc(CCOCC2CCCC2)no1.
What is the InChIKey of N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is FRPDENNFFXURNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c26-21(22-17-9-2-1-3-10-17)25-13-6-11-18(25)20-23-19(24-28-20)12-14-27-15-16-7-4-5-8-16/h16-18H,1-15H2,(H,22,26).
What are the key properties of N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91920784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).