4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

C17H15F3N6O2 — CID 59606248

IUPAC4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc(C(N)=O)cc1Nc1ncc(C(F)(F)F)c(NCc2ncco2)n1
InChIInChI=1S/C17H15F3N6O2/c1-9-2-3-10(14(21)27)6-12(9)25-16-24-7-11(17(18,19)20)15(26-16)23-8-13-22-4-5-28-13/h2-7H,8H2,1H3,(H2,21,27)(H2,23,24,25,26)
InChIKeyOBRVTISXLIPJTI-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.25
Rot. Bonds6

About 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 59606248) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
PubChem CID59606248
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc(C(N)=O)cc1Nc1ncc(C(F)(F)F)c(NCc2ncco2)n1
InChIInChI=1S/C17H15F3N6O2/c1-9-2-3-10(14(21)27)6-12(9)25-16-24-7-11(17(18,19)20)15(26-16)23-8-13-22-4-5-28-13/h2-7H,8H2,1H3,(H2,21,27)(H2,23,24,25,26)
InChIKeyOBRVTISXLIPJTI-UHFFFAOYSA-N
XLogP3.25
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (CID 59606248) is 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is Cc1ccc(C(N)=O)cc1Nc1ncc(C(F)(F)F)c(NCc2ncco2)n1.
What is the InChIKey of 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is OBRVTISXLIPJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-9-2-3-10(14(21)27)6-12(9)25-16-24-7-11(17(18,19)20)15(26-16)23-8-13-22-4-5-28-13/h2-7H,8H2,1H3,(H2,21,27)(H2,23,24,25,26).
What are the key properties of 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 392.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 59606248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).