2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C27H24F4N4O2 — CID 46000392

IUPAC2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C27H24F4N4O2/c28-21-10-8-19(9-11-21)15-35(16-20-5-1-2-7-23(20)27(29,30)31)17-25-34-24(18-37-25)26(36)33-14-12-22-6-3-4-13-32-22/h1-11,13,18H,12,14-17H2,(H,33,36)
InChIKeyDFQTVPPRXDWXLL-UHFFFAOYSA-N
MW512.51 g/mol
LogP5.40
Rot. Bonds10

About 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46000392) has the molecular formula C27H24F4N4O2 and a molecular weight of 512.51 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID46000392
Molecular FormulaC27H24F4N4O2
Molecular Weight512.51 g/mol
Exact Mass512.18
IUPAC Name2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C27H24F4N4O2/c28-21-10-8-19(9-11-21)15-35(16-20-5-1-2-7-23(20)27(29,30)31)17-25-34-24(18-37-25)26(36)33-14-12-22-6-3-4-13-32-22/h1-11,13,18H,12,14-17H2,(H,33,36)
InChIKeyDFQTVPPRXDWXLL-UHFFFAOYSA-N
XLogP5.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-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

2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834517
2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833048
2-[[benzyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46002434
2-[[(2,3-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 42833142
2-[[[(1R)-1-phenylethyl]-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 93158089
N-benzyl-2-[[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46000381
2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833164
2-[[(4-fluorophenyl)methyl-[(3-methylphenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 46000364
2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834790
2-[[(3,4-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42829401
2-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46149195
2-[[(2,3-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833690

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 46000392) is 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccccn1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DFQTVPPRXDWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N4O2/c28-21-10-8-19(9-11-21)15-35(16-20-5-1-2-7-23(20)27(29,30)31)17-25-34-24(18-37-25)26(36)33-14-12-22-6-3-4-13-32-22/h1-11,13,18H,12,14-17H2,(H,33,36).
What are the key properties of 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 512.51 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).