N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide

C17H13F3N4O3S — CID 136797588

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide (PubChem CID 136797588) has the molecular formula C17H13F3N4O3S and a molecular weight of 410.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide
• PubChem CID: 136797588
• Molecular Formula: C17H13F3N4O3S
• Molecular Weight: 410.38 g/mol
• Exact Mass: 410.07
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide
• SMILES: Cc1cc(NC(=O)C(Sc2nc(C(F)(F)F)cc(=O)[nH]2)c2ccccc2)no1
• InChI: InChI=1S/C17H13F3N4O3S/c1-9-7-12(24-27-9)22-15(26)14(10-5-3-2-4-6-10)28-16-21-11(17(18,19)20)8-13(25)23-16/h2-8,14H,1H3,(H,21,23,25)(H,22,24,26)
• InChIKey: YRMNQPYVULXYFJ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.38
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide (CID 136797588) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide is Cc1cc(NC(=O)C(Sc2nc(C(F)(F)F)cc(=O)[nH]2)c2ccccc2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide?

The InChIKey is YRMNQPYVULXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3S/c1-9-7-12(24-27-9)22-15(26)14(10-5-3-2-4-6-10)28-16-21-11(17(18,19)20)8-13(25)23-16/h2-8,14H,1H3,(H,21,23,25)(H,22,24,26).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 410.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 136797588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).