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

C19H12F6N2O2 — CID 175455375

IUPAC5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2C(F)(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c1-10-15(17(28)26-12-6-4-5-11(9-12)18(20,21)22)16(27-29-10)13-7-2-3-8-14(13)19(23,24)25/h2-9H,1H3,(H,26,28)
InChIKeyFIHYENKQFZTMEZ-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.94
Rot. Bonds3

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

5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 175455375) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID175455375
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2C(F)(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c1-10-15(17(28)26-12-6-4-5-11(9-12)18(20,21)22)16(27-29-10)13-7-2-3-8-14(13)19(23,24)25/h2-9H,1H3,(H,26,28)
InChIKeyFIHYENKQFZTMEZ-UHFFFAOYSA-N
XLogP5.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 175455375) is 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2C(F)(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FIHYENKQFZTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c1-10-15(17(28)26-12-6-4-5-11(9-12)18(20,21)22)16(27-29-10)13-7-2-3-8-14(13)19(23,24)25/h2-9H,1H3,(H,26,28).
What are the key properties of 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175455375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).