4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

C19H15N3O4 — CID 16955902

IUPAC4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccccc1
InChIInChI=1S/C19H15N3O4/c23-17-9-13(10-22(17)14-4-2-1-3-5-14)19-20-18(21-26-19)12-6-7-15-16(8-12)25-11-24-15/h1-8,13H,9-11H2
InChIKeyQQAYZTYQXXJFAY-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.99
Rot. Bonds3

About 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (PubChem CID 16955902) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
PubChem CID16955902
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccccc1
InChIInChI=1S/C19H15N3O4/c23-17-9-13(10-22(17)14-4-2-1-3-5-14)19-20-18(21-26-19)12-6-7-15-16(8-12)25-11-24-15/h1-8,13H,9-11H2
InChIKeyQQAYZTYQXXJFAY-UHFFFAOYSA-N
XLogP2.99
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 16955991
(4S)-1-(1,3-benzodioxol-5-yl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586113
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4S)-4-[3-[4-(4-chlorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 92880397
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 95116397
3-ethyl-6-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065702
1-ethyl-3-methyl-6-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067719
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
4-ethyl-7-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53065412
(4S)-1-phenyl-4-[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075912
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (CID 16955902) is 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is O=C1CC(c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccccc1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is QQAYZTYQXXJFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-17-9-13(10-22(17)14-4-2-1-3-5-14)19-20-18(21-26-19)12-6-7-15-16(8-12)25-11-24-15/h1-8,13H,9-11H2.
What are the key properties of 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 349.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 16955902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).