N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide

C21H19F3N2O3 — CID 42646665

IUPACN-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc(C(C)C)c(NC(=O)c3ccccc3C(F)(F)F)o2)cc1
InChIInChI=1S/C21H19F3N2O3/c1-12(2)17-20(29-19(25-17)13-8-10-14(28-3)11-9-13)26-18(27)15-6-4-5-7-16(15)21(22,23)24/h4-12H,1-3H3,(H,26,27)
InChIKeyBOUOCADPBBXZKN-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.74
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide

N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 42646665) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID42646665
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc(C(C)C)c(NC(=O)c3ccccc3C(F)(F)F)o2)cc1
InChIInChI=1S/C21H19F3N2O3/c1-12(2)17-20(29-19(25-17)13-8-10-14(28-3)11-9-13)26-18(27)15-6-4-5-7-16(15)21(22,23)24/h4-12H,1-3H3,(H,26,27)
InChIKeyBOUOCADPBBXZKN-UHFFFAOYSA-N
XLogP5.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide
CID 53095833
methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 141273710
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 22228481
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
N-[2-[3-chloro-5-(4-methoxyphenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118033974
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 2160392
N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 135071649
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide (CID 42646665) is N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide is COc1ccc(-c2nc(C(C)C)c(NC(=O)c3ccccc3C(F)(F)F)o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is BOUOCADPBBXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-12(2)17-20(29-19(25-17)13-8-10-14(28-3)11-9-13)26-18(27)15-6-4-5-7-16(15)21(22,23)24/h4-12H,1-3H3,(H,26,27).
What are the key properties of N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide?
N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 404.39 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4-propan-2-yl-1,3-oxazol-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 42646665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).