2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

C19H14F6N2O2 — CID 135321987

IUPAC2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESCc1cc(C2=NO[C@@](c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(N)=O
InChIInChI=1S/C19H14F6N2O2/c1-10-7-11(5-6-14(10)16(26)28)15-9-17(29-27-15,19(23,24)25)12-3-2-4-13(8-12)18(20,21)22/h2-8H,9H2,1H3,(H2,26,28)/t17-/m0/s1
InChIKeyXFBNRLMEZGQGNK-KRWDZBQOSA-N
MW416.32 g/mol
LogP4.69
Rot. Bonds3

About 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (PubChem CID 135321987) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
PubChem CID135321987
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC Name2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESCc1cc(C2=NO[C@@](c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(N)=O
InChIInChI=1S/C19H14F6N2O2/c1-10-7-11(5-6-14(10)16(26)28)15-9-17(29-27-15,19(23,24)25)12-3-2-4-13(8-12)18(20,21)22/h2-8H,9H2,1H3,(H2,26,28)/t17-/m0/s1
InChIKeyXFBNRLMEZGQGNK-KRWDZBQOSA-N
XLogP4.69
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (CID 135321987) is 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is Cc1cc(C2=NO[C@@](c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The InChIKey is XFBNRLMEZGQGNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-10-7-11(5-6-14(10)16(26)28)15-9-17(29-27-15,19(23,24)25)12-3-2-4-13(8-12)18(20,21)22/h2-8H,9H2,1H3,(H2,26,28)/t17-/m0/s1.
What are the key properties of 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide has a molecular weight of 416.32 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 135321987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).