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

C20H16ClF3N4O2 — CID 42765394

IUPAC2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C20H16ClF3N4O2/c21-13-6-3-5-12(11-13)17-26-18(30-27-17)16-9-4-10-28(16)19(29)25-15-8-2-1-7-14(15)20(22,23)24/h1-3,5-8,11,16H,4,9-10H2,(H,25,29)
InChIKeySOIRSUUNXGLJJP-UHFFFAOYSA-N
MW436.82 g/mol
LogP5.78
Rot. Bonds3

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

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 42765394) has the molecular formula C20H16ClF3N4O2 and a molecular weight of 436.82 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID42765394
Molecular FormulaC20H16ClF3N4O2
Molecular Weight436.82 g/mol
Exact Mass436.09
IUPAC Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C20H16ClF3N4O2/c21-13-6-3-5-12(11-13)17-26-18(30-27-17)16-9-4-10-28(16)19(29)25-15-8-2-1-7-14(15)20(22,23)24/h1-3,5-8,11,16H,4,9-10H2,(H,25,29)
InChIKeySOIRSUUNXGLJJP-UHFFFAOYSA-N
XLogP5.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.82
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)pyrrolidine-1-carboxamide
CID 3947756
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42760881
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 7231950
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
N-(3-chloro-4-fluorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4637876
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 5009552
N-(2-chlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206213
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057746
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 5001867
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 4006841
methyl 3-[[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 95057749

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 42765394) is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is SOIRSUUNXGLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O2/c21-13-6-3-5-12(11-13)17-26-18(30-27-17)16-9-4-10-28(16)19(29)25-15-8-2-1-7-14(15)20(22,23)24/h1-3,5-8,11,16H,4,9-10H2,(H,25,29).
What are the key properties of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 42765394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).