N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide

C17H17F3N4O3 — CID 53039245

IUPACN-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C17H17F3N4O3/c1-10(25)21-9-14(26)24-7-3-6-13(24)16-22-15(23-27-16)11-4-2-5-12(8-11)17(18,19)20/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,21,25)
InChIKeyNGPLPFDGMATESZ-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.56
Rot. Bonds4

About N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide (PubChem CID 53039245) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide
PubChem CID53039245
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C17H17F3N4O3/c1-10(25)21-9-14(26)24-7-3-6-13(24)16-22-15(23-27-16)11-4-2-5-12(8-11)17(18,19)20/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,21,25)
InChIKeyNGPLPFDGMATESZ-UHFFFAOYSA-N
XLogP2.56
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-{4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895845
N-Cyclopentyl-4-(3-m-tolyl-[1,2,4]oxadiazol-5-yl)-butyramide
CID 2983721
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 16189892
Cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4240363
2-Methoxy-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 16124099
(2S,3S)-3-hydroxy-N-(4-(5-pentyl-1,2,4-oxadiazol-3-yl)benzyl)pyrrolidine-2-carboxamide
CID 45256919
(R)-3-amino-1-((S)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487888
(R)-3-amino-1-((S)-2-(3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487894
(R)-3-amino-1-((S)-2-(3-(1-(trifluoromethyl)cyclopropyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487903
(R)-3-amino-1-((S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487930
(R)-1-((S)-2-(3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487931

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide (CID 53039245) is N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is NGPLPFDGMATESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-10(25)21-9-14(26)24-7-3-6-13(24)16-22-15(23-27-16)11-4-2-5-12(8-11)17(18,19)20/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,21,25).
What are the key properties of N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 382.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 53039245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).