[4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol

C29H32FN4O7P — CID 123706826

About [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol

[4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol (PubChem CID 123706826) has the molecular formula C29H32FN4O7P and a molecular weight of 598.57 g/mol. Its IUPAC name is [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol.

Molecular Properties

• Compound Name: [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol
• PubChem CID: 123706826
• Molecular Formula: C29H32FN4O7P
• Molecular Weight: 598.57 g/mol
• Exact Mass: 598.20
• IUPAC Name: [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol
• SMILES: COc1cc(C=C2OC3(CCP(=O)(OC)OC3)CN3C2=NOCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C29H32FN4O7P/c1-20-14-33(19-31-20)24-9-4-21(12-25(24)37-2)13-26-27-32-39-18-29(16-35,22-5-7-23(30)8-6-22)34(27)15-28(41-26)10-11-42(36,38-3)40-17-28/h4-9,12-14,19,35H,10-11,15-18H2,1-3H3
• InChIKey: ZYXGIWDVOURCDC-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 116.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.57
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol?

The IUPAC name of [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol (CID 123706826) is [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol.

What is the SMILES notation for [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol?

The canonical SMILES for [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol is COc1cc(C=C2OC3(CCP(=O)(OC)OC3)CN3C2=NOCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol?

The InChIKey is ZYXGIWDVOURCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN4O7P/c1-20-14-33(19-31-20)24-9-4-21(12-25(24)37-2)13-26-27-32-39-18-29(16-35,22-5-7-23(30)8-6-22)34(27)15-28(41-26)10-11-42(36,38-3)40-17-28/h4-9,12-14,19,35H,10-11,15-18H2,1-3H3.

What are the key properties of [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol?

[4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol has a molecular weight of 598.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4'-(4-fluorophenyl)-2-methoxy-9'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-oxospiro[1,2λ5-oxaphosphinane-5,7'-3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine]-4'-yl]methanol is sourced from PubChem (CID 123706826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).