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

C18H15N3O2 — CID 6457595

IUPAC1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)18-19-17(20-23-18)13-7-3-1-4-8-13/h1-10,14H,11-12H2
InChIKeyJUZADFGLEUTGPB-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.26
Rot. Bonds3

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

1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 6457595) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID6457595
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)18-19-17(20-23-18)13-7-3-1-4-8-13/h1-10,14H,11-12H2
InChIKeyJUZADFGLEUTGPB-UHFFFAOYSA-N
XLogP3.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 44091571
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 665520
N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 665846
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 1869495
N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236292
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3239449
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3242385
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-1,2,3,4-tetrahydroquinoline
CID 3243627
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 15989736
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylpropanamide
CID 16193185
1-(4-Chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955911
1-(4-Fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955920

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 6457595) is 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is JUZADFGLEUTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)18-19-17(20-23-18)13-7-3-1-4-8-13/h1-10,14H,11-12H2.
What are the key properties of 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 6457595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).