5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C21H19F3N2O2 — CID 54503236

IUPAC5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(-c2oncc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H19F3N2O2/c1-20(2,3)14-6-4-13(5-7-14)18-17(12-25-28-18)19(27)26-16-10-8-15(9-11-16)21(22,23)24/h4-12H,1-3H3,(H,26,27)
InChIKeyYDXHCCUNDKJNCI-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.91
Rot. Bonds3

About 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 54503236) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID54503236
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(-c2oncc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H19F3N2O2/c1-20(2,3)14-6-4-13(5-7-14)18-17(12-25-28-18)19(27)26-16-10-8-15(9-11-16)21(22,23)24/h4-12H,1-3H3,(H,26,27)
InChIKeyYDXHCCUNDKJNCI-UHFFFAOYSA-N
XLogP5.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 54503236) is 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is CC(C)(C)c1ccc(-c2oncc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is YDXHCCUNDKJNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-20(2,3)14-6-4-13(5-7-14)18-17(12-25-28-18)19(27)26-16-10-8-15(9-11-16)21(22,23)24/h4-12H,1-3H3,(H,26,27).
What are the key properties of 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54503236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).