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

C22H15F3N4O2 — CID 118392507

IUPACN-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3ncco3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H15F3N4O2/c1-13-27-12-18(19(28-13)14-5-3-2-4-6-14)29-20(30)15-7-8-17(22(23,24)25)16(11-15)21-26-9-10-31-21/h2-12H,1H3,(H,29,30)
InChIKeyZBDAXLLGQHTFNO-UHFFFAOYSA-N
MW424.38 g/mol
LogP5.38
Rot. Bonds4

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

N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392507) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392507
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3ncco3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H15F3N4O2/c1-13-27-12-18(19(28-13)14-5-3-2-4-6-14)29-20(30)15-7-8-17(22(23,24)25)16(11-15)21-26-9-10-31-21/h2-12H,1H3,(H,29,30)
InChIKeyZBDAXLLGQHTFNO-UHFFFAOYSA-N
XLogP5.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide (CID 118392507) is N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3ncco3)c2)c(-c2ccccc2)n1.
What is the InChIKey of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZBDAXLLGQHTFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-13-27-12-18(19(28-13)14-5-3-2-4-6-14)29-20(30)15-7-8-17(22(23,24)25)16(11-15)21-26-9-10-31-21/h2-12H,1H3,(H,29,30).
What are the key properties of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 424.38 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1,3-oxazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).