1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C21H21N3O2 — CID 53183294

IUPAC1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCC(c1ccccc1)c1nc(C2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C21H21N3O2/c1-2-18(15-9-5-3-6-10-15)21-22-20(23-26-21)16-13-19(25)24(14-16)17-11-7-4-8-12-17/h3-12,16,18H,2,13-14H2,1H3
InChIKeyXSXZSIJYVMDVFW-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.13
Rot. Bonds5

About 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 53183294) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID53183294
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCC(c1ccccc1)c1nc(C2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C21H21N3O2/c1-2-18(15-9-5-3-6-10-15)21-22-20(23-26-21)16-13-19(25)24(14-16)17-11-7-4-8-12-17/h3-12,16,18H,2,13-14H2,1H3
InChIKeyXSXZSIJYVMDVFW-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
CID 100691836
(4S)-1-phenyl-4-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 125137903
(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
CID 94199937
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906748
4-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916842
1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91906735
(4R)-1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 94199968
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
3-(azepan-2-yl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 104541145
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 98777829
(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99742145

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 53183294) is 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is CCC(c1ccccc1)c1nc(C2CC(=O)N(c3ccccc3)C2)no1.
What is the InChIKey of 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is XSXZSIJYVMDVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-18(15-9-5-3-6-10-15)21-22-20(23-26-21)16-13-19(25)24(14-16)17-11-7-4-8-12-17/h3-12,16,18H,2,13-14H2,1H3.
What are the key properties of 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 53183294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).