3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide

C23H17F3N4O2 — CID 118392510

IUPAC3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1coc(-c2cc(C(=O)Nc3cnc(C)nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C23H17F3N4O2/c1-13-12-32-22(28-13)17-10-16(8-9-18(17)23(24,25)26)21(31)30-19-11-27-14(2)29-20(19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,30,31)
InChIKeyKJTSXFGQCIWFTN-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.69
Rot. Bonds4

About 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide

3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392510) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392510
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1coc(-c2cc(C(=O)Nc3cnc(C)nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C23H17F3N4O2/c1-13-12-32-22(28-13)17-10-16(8-9-18(17)23(24,25)26)21(31)30-19-11-27-14(2)29-20(19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,30,31)
InChIKeyKJTSXFGQCIWFTN-UHFFFAOYSA-N
XLogP5.69
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 118392510) is 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is Cc1coc(-c2cc(C(=O)Nc3cnc(C)nc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KJTSXFGQCIWFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-13-12-32-22(28-13)17-10-16(8-9-18(17)23(24,25)26)21(31)30-19-11-27-14(2)29-20(19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,30,31).
What are the key properties of 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 438.41 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-oxazol-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).