6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine

C15H14F4N4O3 — CID 158063393

About 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine

6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine (PubChem CID 158063393) has the molecular formula C15H14F4N4O3 and a molecular weight of 374.29 g/mol. Its IUPAC name is 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine.

Molecular Properties

• Compound Name: 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine
• PubChem CID: 158063393
• Molecular Formula: C15H14F4N4O3
• Molecular Weight: 374.29 g/mol
• Exact Mass: 374.10
• IUPAC Name: 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine
• SMILES: COCC1N=NC2=CC=C(c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)ON21
• InChI: InChI=1S/C15H14F4N4O3/c1-8(15(17,18)19)25-14-10(16)5-9(6-20-14)11-3-4-12-21-22-13(7-24-2)23(12)26-11/h3-6,8,13H,7H2,1-2H3/t8-,13?/m1/s1
• InChIKey: FKXUCGSPRWOKGA-UOGPZTOASA-N
• XLogP: 3.42
• TPSA: 68.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.29
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine?

The IUPAC name of 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine (CID 158063393) is 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine.

What is the SMILES notation for 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine?

The canonical SMILES for 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine is COCC1N=NC2=CC=C(c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)ON21.

What is the InChIKey of 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine?

The InChIKey is FKXUCGSPRWOKGA-UOGPZTOASA-N. The full InChI is InChI=1S/C15H14F4N4O3/c1-8(15(17,18)19)25-14-10(16)5-9(6-20-14)11-3-4-12-21-22-13(7-24-2)23(12)26-11/h3-6,8,13H,7H2,1-2H3/t8-,13?/m1/s1.

What are the key properties of 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine?

6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine has a molecular weight of 374.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine is sourced from PubChem (CID 158063393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).