2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide

C20H20N4O3 — CID 45247800

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1nonc1CC(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H20N4O3/c1-13-18(23-27-22-13)10-19(25)21-16-9-20(26)24(12-16)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-12H2,1H3,(H,21,25)
InChIKeyAJASYLWVYQSOHS-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 45247800) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID45247800
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1nonc1CC(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H20N4O3/c1-13-18(23-27-22-13)10-19(25)21-16-9-20(26)24(12-16)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-12H2,1H3,(H,21,25)
InChIKeyAJASYLWVYQSOHS-UHFFFAOYSA-N
XLogP1.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50966503
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 26398459
4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 42461278
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}acetamide
CID 45191343
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 42591837
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 42591838
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 91834572
N-[1-(2-fluorobenzyl)piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118766324
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124852349
N-[(2S)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124852350
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 138003340
N-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 31016036

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide (CID 45247800) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide is Cc1nonc1CC(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is AJASYLWVYQSOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-18(23-27-22-13)10-19(25)21-16-9-20(26)24(12-16)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-12H2,1H3,(H,21,25).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 45247800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).