N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C20H17F3N2O2 — CID 84553338

IUPACN-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2/c1-12(2)15-5-3-4-6-16(15)24-18(26)17-11-27-19(25-17)13-7-9-14(10-8-13)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKeySRBJTCUHPOEXFV-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.74
Rot. Bonds4

About N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84553338) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84553338
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2/c1-12(2)15-5-3-4-6-16(15)24-18(26)17-11-27-19(25-17)13-7-9-14(10-8-13)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKeySRBJTCUHPOEXFV-UHFFFAOYSA-N
XLogP5.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553355
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553453
N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553465
N-[4-(pyridin-4-ylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553376
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 110693245
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553366
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84553338) is N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CC(C)c1ccccc1NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SRBJTCUHPOEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-12(2)15-5-3-4-6-16(15)24-18(26)17-11-27-19(25-17)13-7-9-14(10-8-13)20(21,22)23/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).