1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C18H28N4O3 — CID 56760272

IUPAC1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2CCCN2C(=O)C2CCCCC2)no1
InChIInChI=1S/C18H28N4O3/c1-3-16-19-15(20-25-16)12-21(2)18(24)14-10-7-11-22(14)17(23)13-8-5-4-6-9-13/h13-14H,3-12H2,1-2H3
InChIKeyVCKRTABIEUVPMY-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.16
Rot. Bonds5

About 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56760272) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56760272
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2CCCN2C(=O)C2CCCCC2)no1
InChIInChI=1S/C18H28N4O3/c1-3-16-19-15(20-25-16)12-21(2)18(24)14-10-7-11-22(14)17(23)13-8-5-4-6-9-13/h13-14H,3-12H2,1-2H3
InChIKeyVCKRTABIEUVPMY-UHFFFAOYSA-N
XLogP2.16
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 95614743
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 91783670
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72845145
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816
N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97241657
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
(2S,3R,8R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163315077
1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 55731272
1-[(2R)-2-[(2R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426788
methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 56760272) is 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CCc1nc(CN(C)C(=O)C2CCCN2C(=O)C2CCCCC2)no1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VCKRTABIEUVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-16-19-15(20-25-16)12-21(2)18(24)14-10-7-11-22(14)17(23)13-8-5-4-6-9-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56760272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).