1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C21H26N4O4 — CID 110610632

IUPAC1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)C3CC(=O)N(C4CCCCC4)C3)n2)cc1
InChIInChI=1S/C21H26N4O4/c1-28-17-9-7-14(8-10-17)20-23-18(29-24-20)12-22-21(27)15-11-19(26)25(13-15)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-13H2,1H3,(H,22,27)
InChIKeyYBPQAEKACSVCNM-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.54
Rot. Bonds6

About 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 110610632) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID110610632
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)C3CC(=O)N(C4CCCCC4)C3)n2)cc1
InChIInChI=1S/C21H26N4O4/c1-28-17-9-7-14(8-10-17)20-23-18(29-24-20)12-22-21(27)15-11-19(26)25(13-15)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-13H2,1H3,(H,22,27)
InChIKeyYBPQAEKACSVCNM-UHFFFAOYSA-N
XLogP2.54
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72927239
1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 71689820
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
1-(dimethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 132667271
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
(3S)-1-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 125163304
1-[(2-chlorophenyl)methyl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 132672164
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45185889
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 17358775
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86979242

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 110610632) is 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2noc(CNC(=O)C3CC(=O)N(C4CCCCC4)C3)n2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YBPQAEKACSVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-17-9-7-14(8-10-17)20-23-18(29-24-20)12-22-21(27)15-11-19(26)25(13-15)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-13H2,1H3,(H,22,27).
What are the key properties of 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110610632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).