N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H24F3N3O3 — CID 127047987

IUPACN-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O3/c1-14-9-21(31-3)18(23(24,25)26)11-17(14)12-27-13-20(16-7-5-4-6-8-16)28-22(30)19-10-15(2)32-29-19/h4-11,20,27H,12-13H2,1-3H3,(H,28,30)
InChIKeyLTTKLFWSIJBWDU-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.58
Rot. Bonds8

About N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 127047987) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID127047987
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O3/c1-14-9-21(31-3)18(23(24,25)26)11-17(14)12-27-13-20(16-7-5-4-6-8-16)28-22(30)19-10-15(2)32-29-19/h4-11,20,27H,12-13H2,1-3H3,(H,28,30)
InChIKeyLTTKLFWSIJBWDU-UHFFFAOYSA-N
XLogP4.58
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-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-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 67643101
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 127047987) is N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LTTKLFWSIJBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-14-9-21(31-3)18(23(24,25)26)11-17(14)12-27-13-20(16-7-5-4-6-8-16)28-22(30)19-10-15(2)32-29-19/h4-11,20,27H,12-13H2,1-3H3,(H,28,30).
What are the key properties of N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 127047987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).