5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]

C24H20F2N4O4 — CID 76798054

About 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]

5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine] (PubChem CID 76798054) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine].

Molecular Properties

• Compound Name: 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]
• PubChem CID: 76798054
• Molecular Formula: C24H20F2N4O4
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.15
• IUPAC Name: 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]
• SMILES: COc1cc(C=C2OCCN3C2=NOC32COc3c(F)cc(F)cc32)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H20F2N4O4/c1-14-11-29(13-27-14)19-4-3-15(7-20(19)31-2)8-21-23-28-34-24(30(23)5-6-32-21)12-33-22-17(24)9-16(25)10-18(22)26/h3-4,7-11,13H,5-6,12H2,1-2H3
• InChIKey: OBMAZGRVXDNDOM-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 70.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]?

The IUPAC name of 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine] (CID 76798054) is 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine].

What is the SMILES notation for 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]?

The canonical SMILES for 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine] is COc1cc(C=C2OCCN3C2=NOC32COc3c(F)cc(F)cc32)ccc1-n1cnc(C)c1.

What is the InChIKey of 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]?

The InChIKey is OBMAZGRVXDNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c1-14-11-29(13-27-14)19-4-3-15(7-20(19)31-2)8-21-23-28-34-24(30(23)5-6-32-21)12-33-22-17(24)9-16(25)10-18(22)26/h3-4,7-11,13H,5-6,12H2,1-2H3.

What are the key properties of 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]?

5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine] has a molecular weight of 466.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2H-1-benzofuran-3,3'-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine] is sourced from PubChem (CID 76798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).