(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide

C24H19ClN4O3S — CID 92746728

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1
InChIInChI=1S/C24H19ClN4O3S/c25-19-8-2-1-5-16(19)13-26-23(31)17-12-21(30)29(14-17)18-7-3-6-15(11-18)22-27-24(32-28-22)20-9-4-10-33-20/h1-11,17H,12-14H2,(H,26,31)/t17-/m1/s1
InChIKeyVYWNRBDNVWOAPN-QGZVFWFLSA-N
MW478.96 g/mol
LogP4.79
Rot. Bonds6

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

(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 92746728) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID92746728
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1
InChIInChI=1S/C24H19ClN4O3S/c25-19-8-2-1-5-16(19)13-26-23(31)17-12-21(30)29(14-17)18-7-3-6-15(11-18)22-27-24(32-28-22)20-9-4-10-33-20/h1-11,17H,12-14H2,(H,26,31)/t17-/m1/s1
InChIKeyVYWNRBDNVWOAPN-QGZVFWFLSA-N
XLogP4.79
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 46321765
(3S)-N-(3,5-dimethoxyphenyl)-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 92746737
(3R)-N-[(4-chlorophenyl)methyl]-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746764
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97104827
N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153972
(3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746758

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (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) is (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VYWNRBDNVWOAPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c25-19-8-2-1-5-16(19)13-26-23(31)17-12-21(30)29(14-17)18-7-3-6-15(11-18)22-27-24(32-28-22)20-9-4-10-33-20/h1-11,17H,12-14H2,(H,26,31)/t17-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 478.96 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92746728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).