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

C23H21FN6O2 — CID 66839666

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

8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 66839666) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

• Compound Name: 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
• PubChem CID: 66839666
• Molecular Formula: C23H21FN6O2
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.17
• IUPAC Name: 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
• SMILES: COc1nc(C=Cc2nc3n(n2)CCOC3c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H21FN6O2/c1-15-13-29(14-25-15)19-9-7-18(26-23(19)31-2)8-10-20-27-22-21(32-12-11-30(22)28-20)16-3-5-17(24)6-4-16/h3-10,13-14,21H,11-12H2,1-2H3
• InChIKey: LZYYQHZYDDPVHF-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 66839666) is 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

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

The canonical SMILES for 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is COc1nc(C=Cc2nc3n(n2)CCOC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.

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

The InChIKey is LZYYQHZYDDPVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-15-13-29(14-25-15)19-9-7-18(26-23(19)31-2)8-10-20-27-22-21(32-12-11-30(22)28-20)16-3-5-17(24)6-4-16/h3-10,13-14,21H,11-12H2,1-2H3.

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

8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 432.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 66839666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).