3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide

C21H18F4N2O2 — CID 146152026

IUPAC3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)cc(C(F)(F)F)c1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C21H18F4N2O2/c1-20(2,17-11-29-19(27-17)13-6-4-3-5-7-13)12-26-18(28)14-8-15(21(23,24)25)10-16(22)9-14/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyOICZNUSTNJKBMS-UHFFFAOYSA-N
MW406.38 g/mol
LogP5.21
Rot. Bonds5

About 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide (PubChem CID 146152026) has the molecular formula C21H18F4N2O2 and a molecular weight of 406.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide
PubChem CID146152026
Molecular FormulaC21H18F4N2O2
Molecular Weight406.38 g/mol
Exact Mass406.13
IUPAC Name3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)cc(C(F)(F)F)c1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C21H18F4N2O2/c1-20(2,17-11-29-19(27-17)13-6-4-3-5-7-13)12-26-18(28)14-8-15(21(23,24)25)10-16(22)9-14/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyOICZNUSTNJKBMS-UHFFFAOYSA-N
XLogP5.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide (CID 146152026) is 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide is CC(C)(CNC(=O)c1cc(F)cc(C(F)(F)F)c1)c1coc(-c2ccccc2)n1.
What is the InChIKey of 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide?
The InChIKey is OICZNUSTNJKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O2/c1-20(2,17-11-29-19(27-17)13-6-4-3-5-7-13)12-26-18(28)14-8-15(21(23,24)25)10-16(22)9-14/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide has a molecular weight of 406.38 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 146152026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).