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

C19H9F9N2O2 — CID 54545831

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H9F9N2O2/c20-17(21,22)10-1-3-13(4-2-10)30-16(31)14-8-29-32-15(14)9-5-11(18(23,24)25)7-12(6-9)19(26,27)28/h1-8H,(H,30,31)
InChIKeyZGLORNXKCCHNQN-UHFFFAOYSA-N
MW468.28 g/mol
LogP6.65
Rot. Bonds3

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

5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 54545831) has the molecular formula C19H9F9N2O2 and a molecular weight of 468.28 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID54545831
Molecular FormulaC19H9F9N2O2
Molecular Weight468.28 g/mol
Exact Mass468.05
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H9F9N2O2/c20-17(21,22)10-1-3-13(4-2-10)30-16(31)14-8-29-32-15(14)9-5-11(18(23,24)25)7-12(6-9)19(26,27)28/h1-8H,(H,30,31)
InChIKeyZGLORNXKCCHNQN-UHFFFAOYSA-N
XLogP6.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.28
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 54545831) is 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZGLORNXKCCHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F9N2O2/c20-17(21,22)10-1-3-13(4-2-10)30-16(31)14-8-29-32-15(14)9-5-11(18(23,24)25)7-12(6-9)19(26,27)28/h1-8H,(H,30,31).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 468.28 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54545831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).