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

C27H28FN5O3 — CID 92746806

IUPAC(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H28FN5O3/c28-22-9-1-2-10-23(22)31-11-13-32(14-12-31)27(35)20-16-24(34)33(17-20)21-8-4-7-19(15-21)25-29-26(36-30-25)18-5-3-6-18/h1-2,4,7-10,15,18,20H,3,5-6,11-14,16-17H2/t20-/m1/s1
InChIKeyQQUYDEZHZWVYQS-HXUWFJFHSA-N
MW489.55 g/mol
LogP3.84
Rot. Bonds5

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

(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92746806) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID92746806
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H28FN5O3/c28-22-9-1-2-10-23(22)31-11-13-32(14-12-31)27(35)20-16-24(34)33(17-20)21-8-4-7-19(15-21)25-29-26(36-30-25)18-5-3-6-18/h1-2,4,7-10,15,18,20H,3,5-6,11-14,16-17H2/t20-/m1/s1
InChIKeyQQUYDEZHZWVYQS-HXUWFJFHSA-N
XLogP3.84
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 20932317
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 46321714
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737
(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746764
(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
(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
(4S)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746625
(4R)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746626
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4278143
1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 92746806) is (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QQUYDEZHZWVYQS-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H28FN5O3/c28-22-9-1-2-10-23(22)31-11-13-32(14-12-31)27(35)20-16-24(34)33(17-20)21-8-4-7-19(15-21)25-29-26(36-30-25)18-5-3-6-18/h1-2,4,7-10,15,18,20H,3,5-6,11-14,16-17H2/t20-/m1/s1.
What are the key properties of (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 489.55 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92746806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).