2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C23H21F3N6O2 — CID 67607345

About 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 67607345) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

• Compound Name: 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
• PubChem CID: 67607345
• Molecular Formula: C23H21F3N6O2
• Molecular Weight: 470.46 g/mol
• Exact Mass: 470.17
• IUPAC Name: 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
• SMILES: COc1nc(-c2nc3n(n2)CCOC3c2cc(C(F)(F)F)ccc2C)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H21F3N6O2/c1-13-4-5-15(23(24,25)26)10-16(13)19-21-29-20(30-32(21)8-9-34-19)17-6-7-18(22(28-17)33-3)31-11-14(2)27-12-31/h4-7,10-12,19H,8-9H2,1-3H3
• InChIKey: FRUCYYIJPDCOQC-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.46
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?

The IUPAC name of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 67607345) is 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

What is the SMILES notation for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?

The canonical SMILES for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is COc1nc(-c2nc3n(n2)CCOC3c2cc(C(F)(F)F)ccc2C)ccc1-n1cnc(C)c1.

What is the InChIKey of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?

The InChIKey is FRUCYYIJPDCOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c1-13-4-5-15(23(24,25)26)10-16(13)19-21-29-20(30-32(21)8-9-34-19)17-6-7-18(22(28-17)33-3)31-11-14(2)27-12-31/h4-7,10-12,19H,8-9H2,1-3H3.

What are the key properties of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?

2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 470.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 67607345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).