2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide

C19H15Cl3N4O2 — CID 42765405

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H15Cl3N4O2/c20-12-8-6-11(7-9-12)17-24-18(28-25-17)15-5-2-10-26(15)19(27)23-16-13(21)3-1-4-14(16)22/h1,3-4,6-9,15H,2,5,10H2,(H,23,27)
InChIKeyDNRPOEAXTKTXNG-UHFFFAOYSA-N
MW437.71 g/mol
LogP6.07
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 42765405) has the molecular formula C19H15Cl3N4O2 and a molecular weight of 437.71 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide
PubChem CID42765405
Molecular FormulaC19H15Cl3N4O2
Molecular Weight437.71 g/mol
Exact Mass436.03
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H15Cl3N4O2/c20-12-8-6-11(7-9-12)17-24-18(28-25-17)15-5-2-10-26(15)19(27)23-16-13(21)3-1-4-14(16)22/h1,3-4,6-9,15H,2,5,10H2,(H,23,27)
InChIKeyDNRPOEAXTKTXNG-UHFFFAOYSA-N
XLogP6.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4261812
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4528792
(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-difluorophenyl)pyrrolidine-1-carboxamide
CID 7417635
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide
CID 42765361
(2S)-N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7347789
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 42765290
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760812
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 4006841
[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[2,6-di(propan-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 42765359

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide (CID 42765405) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1c(Cl)cccc1Cl)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is DNRPOEAXTKTXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N4O2/c20-12-8-6-11(7-9-12)17-24-18(28-25-17)15-5-2-10-26(15)19(27)23-16-13(21)3-1-4-14(16)22/h1,3-4,6-9,15H,2,5,10H2,(H,23,27).
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 437.71 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 42765405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).