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

C17H19F3N4O2 — CID 95057742

IUPAC(2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C17H19F3N4O2/c1-10(2)21-16(25)24-8-4-7-13(24)15-22-14(23-26-15)11-5-3-6-12(9-11)17(18,19)20/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeySBJHBNOODRKMIW-CYBMUJFWSA-N
MW368.36 g/mol
LogP4.01
Rot. Bonds3

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

(2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 95057742) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID95057742
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name(2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C17H19F3N4O2/c1-10(2)21-16(25)24-8-4-7-13(24)15-22-14(23-26-15)11-5-3-6-12(9-11)17(18,19)20/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeySBJHBNOODRKMIW-CYBMUJFWSA-N
XLogP4.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057467
N-butan-2-yl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206204
(3,5-dimethoxyphenyl)-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057454
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155
(E)-3-thiophen-2-yl-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 95057486
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4212102
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 167893080
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 42765394
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 95057742) is (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is SBJHBNOODRKMIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-10(2)21-16(25)24-8-4-7-13(24)15-22-14(23-26-15)11-5-3-6-12(9-11)17(18,19)20/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95057742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).