N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide

C15H13F3N4O3 — CID 166031159

IUPACN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cnon1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)11-4-2-1-3-9(11)7-22-8-10(5-13(22)23)20-14(24)12-6-19-25-21-12/h1-4,6,10H,5,7-8H2,(H,20,24)
InChIKeyQCMPCNFBKMWBDB-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.62
Rot. Bonds4

About N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide

N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166031159) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID166031159
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cnon1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)11-4-2-1-3-9(11)7-22-8-10(5-13(22)23)20-14(24)12-6-19-25-21-12/h1-4,6,10H,5,7-8H2,(H,20,24)
InChIKeyQCMPCNFBKMWBDB-UHFFFAOYSA-N
XLogP1.62
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(trifluoromethyl)benzyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146799
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}acetamide
CID 45191343
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45233671
N-benzyl-1,2,5-oxadiazole-3-carboxamide
CID 84578914
4-amino-N-(2-{[2-(trifluoromethyl)benzyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide
CID 3162060
2-[(4-Amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 7248408
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 25480498
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 25480501
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 42216691
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 42216692
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 42591837
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 42591838

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide (CID 166031159) is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide is O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cnon1.
What is the InChIKey of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QCMPCNFBKMWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c16-15(17,18)11-4-2-1-3-9(11)7-22-8-10(5-13(22)23)20-14(24)12-6-19-25-21-12/h1-4,6,10H,5,7-8H2,(H,20,24).
What are the key properties of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166031159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).