5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

C15H17F3N4O2 — CID 50980108

IUPAC5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2cc(CC(C)C)on2)n1
InChIInChI=1S/C15H17F3N4O2/c1-8(2)4-10-6-11(22-24-10)14(23)19-7-13-20-9(3)5-12(21-13)15(16,17)18/h5-6,8H,4,7H2,1-3H3,(H,19,23)
InChIKeyXYCNWWQDXNCPJE-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.92
Rot. Bonds5

About 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 50980108) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID50980108
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2cc(CC(C)C)on2)n1
InChIInChI=1S/C15H17F3N4O2/c1-8(2)4-10-6-11(22-24-10)14(23)19-7-13-20-9(3)5-12(21-13)15(16,17)18/h5-6,8H,4,7H2,1-3H3,(H,19,23)
InChIKeyXYCNWWQDXNCPJE-UHFFFAOYSA-N
XLogP2.92
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 50980108) is 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(F)(F)F)nc(CNC(=O)c2cc(CC(C)C)on2)n1.
What is the InChIKey of 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XYCNWWQDXNCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-8(2)4-10-6-11(22-24-10)14(23)19-7-13-20-9(3)5-12(21-13)15(16,17)18/h5-6,8H,4,7H2,1-3H3,(H,19,23).
What are the key properties of 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50980108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).