(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H23ClN4O3 — CID 92746764

IUPAC(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1
InChIInChI=1S/C24H23ClN4O3/c25-19-9-7-15(8-10-19)13-26-23(31)18-12-21(30)29(14-18)20-6-2-5-17(11-20)22-27-24(32-28-22)16-3-1-4-16/h2,5-11,16,18H,1,3-4,12-14H2,(H,26,31)/t18-/m1/s1
InChIKeyQJJRCBBRZCHVNT-GOSISDBHSA-N
MW450.93 g/mol
LogP4.33
Rot. Bonds6

About (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92746764) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92746764
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1
InChIInChI=1S/C24H23ClN4O3/c25-19-9-7-15(8-10-19)13-26-23(31)18-12-21(30)29(14-18)20-6-2-5-17(11-20)22-27-24(32-28-22)16-3-1-4-16/h2,5-11,16,18H,1,3-4,12-14H2,(H,26,31)/t18-/m1/s1
InChIKeyQJJRCBBRZCHVNT-GOSISDBHSA-N
XLogP4.33
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723644
(3S)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 92746741
(3S)-N-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746374
(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)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 20932317
(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 92746728
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92746764) is (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1.
What is the InChIKey of (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QJJRCBBRZCHVNT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c25-19-9-7-15(8-10-19)13-26-23(31)18-12-21(30)29(14-18)20-6-2-5-17(11-20)22-27-24(32-28-22)16-3-1-4-16/h2,5-11,16,18H,1,3-4,12-14H2,(H,26,31)/t18-/m1/s1.
What are the key properties of (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92746764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).