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

C17H17F3N4O3 — CID 97252431

IUPAC(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ncon1
InChIInChI=1S/C17H17F3N4O3/c1-10(15-21-9-27-23-15)22-16(26)12-6-14(25)24(8-12)7-11-3-2-4-13(5-11)17(18,19)20/h2-5,9-10,12H,6-8H2,1H3,(H,22,26)/t10-,12+/m0/s1
InChIKeyOOODRMYAJOBQJB-CMPLNLGQSA-N
MW382.34 g/mol
LogP2.31
Rot. Bonds5

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

(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 97252431) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID97252431
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ncon1
InChIInChI=1S/C17H17F3N4O3/c1-10(15-21-9-27-23-15)22-16(26)12-6-14(25)24(8-12)7-11-3-2-4-13(5-11)17(18,19)20/h2-5,9-10,12H,6-8H2,1H3,(H,22,26)/t10-,12+/m0/s1
InChIKeyOOODRMYAJOBQJB-CMPLNLGQSA-N
XLogP2.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119614384
5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolidine-3-carboxamide
CID 60556882
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 78881689
2,2-dimethyl-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249849
N-(1-aminopropan-2-yl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119582564
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate
CID 55741240
N-(furan-3-ylmethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55839182
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55758677

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 97252431) is (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ncon1.
What is the InChIKey of (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is OOODRMYAJOBQJB-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-10(15-21-9-27-23-15)22-16(26)12-6-14(25)24(8-12)7-11-3-2-4-13(5-11)17(18,19)20/h2-5,9-10,12H,6-8H2,1H3,(H,22,26)/t10-,12+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97252431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).