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

C25H24N4O3 — CID 20932317

IUPAC1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCc3ccccc32)CN1c1cccc(-c2noc(C3CCC3)n2)c1
InChIInChI=1S/C25H24N4O3/c30-22-14-19(25(31)28-12-11-16-5-1-2-10-21(16)28)15-29(22)20-9-4-8-18(13-20)23-26-24(32-27-23)17-6-3-7-17/h1-2,4-5,8-10,13,17,19H,3,6-7,11-12,14-15H2
InChIKeyYIHYZZMCOXIHSE-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.95
Rot. Bonds4

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

1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 20932317) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID20932317
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCc3ccccc32)CN1c1cccc(-c2noc(C3CCC3)n2)c1
InChIInChI=1S/C25H24N4O3/c30-22-14-19(25(31)28-12-11-16-5-1-2-10-21(16)28)15-29(22)20-9-4-8-18(13-20)23-26-24(32-27-23)17-6-3-7-17/h1-2,4-5,8-10,13,17,19H,3,6-7,11-12,14-15H2
InChIKeyYIHYZZMCOXIHSE-UHFFFAOYSA-N
XLogP3.95
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746622
(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92746806
(3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746758
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746813
(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746764
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
(3S)-N-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746374
(4R)-4-[4-[3-(1,3-dimethyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 153382530
(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116491
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 20932317) is 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCc3ccccc32)CN1c1cccc(-c2noc(C3CCC3)n2)c1.
What is the InChIKey of 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YIHYZZMCOXIHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-22-14-19(25(31)28-12-11-16-5-1-2-10-21(16)28)15-29(22)20-9-4-8-18(13-20)23-26-24(32-27-23)17-6-3-7-17/h1-2,4-5,8-10,13,17,19H,3,6-7,11-12,14-15H2.
What are the key properties of 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 428.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 20932317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).