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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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).