1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide

C18H22N4O4 — CID 110246710

IUPAC1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)N(C)Cc3nonc3C)C2)c1
InChIInChI=1S/C18H22N4O4/c1-12-16(20-26-19-12)11-21(2)17(23)14-7-8-22(10-14)18(24)13-5-4-6-15(9-13)25-3/h4-6,9,14H,7-8,10-11H2,1-3H3
InChIKeyAPOKKBLMCADZLQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.51
Rot. Bonds5

About 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide

1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110246710) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110246710
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)N(C)Cc3nonc3C)C2)c1
InChIInChI=1S/C18H22N4O4/c1-12-16(20-26-19-12)11-21(2)17(23)14-7-8-22(10-14)18(24)13-5-4-6-15(9-13)25-3/h4-6,9,14H,7-8,10-11H2,1-3H3
InChIKeyAPOKKBLMCADZLQ-UHFFFAOYSA-N
XLogP1.51
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
CID 110085831
(2R)-N,1-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
CID 124997001
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 129336431
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 110246710) is 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)N(C)Cc3nonc3C)C2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is APOKKBLMCADZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-16(20-26-19-12)11-21(2)17(23)14-7-8-22(10-14)18(24)13-5-4-6-15(9-13)25-3/h4-6,9,14H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).