4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one

C21H21N3O2 — CID 22110781

IUPAC4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)CC1=O
InChIInChI=1S/C21H21N3O2/c1-15(17-10-6-3-7-11-17)24-14-18(13-20(24)25)21-22-19(23-26-21)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKeyIGGCPUPUCZSJAR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.74
Rot. Bonds5

About 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one

4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 22110781) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID22110781
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)CC1=O
InChIInChI=1S/C21H21N3O2/c1-15(17-10-6-3-7-11-17)24-14-18(13-20(24)25)21-22-19(23-26-21)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKeyIGGCPUPUCZSJAR-UHFFFAOYSA-N
XLogP3.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 166253742
4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 55201043
3-benzyl-5-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121093257
3-benzyl-5-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121093274
3-benzyl-5-[1-[3-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 11591735
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 129471642
4-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 71783653
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121092943
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 142004116

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one (CID 22110781) is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)CC1=O.
What is the InChIKey of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is IGGCPUPUCZSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(17-10-6-3-7-11-17)24-14-18(13-20(24)25)21-22-19(23-26-21)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3.
What are the key properties of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 22110781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).