4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one

C16H19N3O3 — CID 72858582

IUPAC4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
SMILESCOCc1nc(CN2CC(Cc3ccccc3)CC2=O)no1
InChIInChI=1S/C16H19N3O3/c1-21-11-15-17-14(18-22-15)10-19-9-13(8-16(19)20)7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyDMLUZGDOYCSNMB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.81
Rot. Bonds6

About 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one

4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 72858582) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
PubChem CID72858582
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
SMILESCOCc1nc(CN2CC(Cc3ccccc3)CC2=O)no1
InChIInChI=1S/C16H19N3O3/c1-21-11-15-17-14(18-22-15)10-19-9-13(8-16(19)20)7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyDMLUZGDOYCSNMB-UHFFFAOYSA-N
XLogP1.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 72930046
(3R)-1-benzyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazine-2,5-dione
CID 166620960
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 71987707
4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
CID 72904242
(4R)-4-benzyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-2-one
CID 97275982
3-[[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 133131575
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 165424506
5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 83193478
5-oxo-1-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50953797
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one (CID 72858582) is 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one is COCc1nc(CN2CC(Cc3ccccc3)CC2=O)no1.
What is the InChIKey of 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is DMLUZGDOYCSNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-11-15-17-14(18-22-15)10-19-9-13(8-16(19)20)7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 301.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 72858582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).