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

C17H17F3N4O3 — CID 42591837

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCc1nonc1CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H17F3N4O3/c1-10-14(23-27-22-10)7-15(25)21-12-6-16(26)24(9-12)8-11-4-2-3-5-13(11)17(18,19)20/h2-5,12H,6-9H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyLHGMGIRLEKNLTJ-LBPRGKRZSA-N
MW382.34 g/mol
LogP1.86
Rot. Bonds5

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

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 42591837) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID42591837
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCc1nonc1CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H17F3N4O3/c1-10-14(23-27-22-10)7-15(25)21-12-6-16(26)24(9-12)8-11-4-2-3-5-13(11)17(18,19)20/h2-5,12H,6-9H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyLHGMGIRLEKNLTJ-LBPRGKRZSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide (CID 42591837) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide is Cc1nonc1CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is LHGMGIRLEKNLTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-10-14(23-27-22-10)7-15(25)21-12-6-16(26)24(9-12)8-11-4-2-3-5-13(11)17(18,19)20/h2-5,12H,6-9H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 382.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 42591837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).