(1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C31H32F2N4O6 — CID 170170267

About (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 170170267) has the molecular formula C31H32F2N4O6 and a molecular weight of 594.62 g/mol. Its IUPAC name is (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

• Compound Name: (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• PubChem CID: 170170267
• Molecular Formula: C31H32F2N4O6
• Molecular Weight: 594.62 g/mol
• Exact Mass: 594.23
• IUPAC Name: (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• SMILES: CC1C[C@]2(C[C@@H](O)[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(OCc4ccccc4)c2C3=O)ON1Cc1ccc(F)cc1F
• InChI: InChI=1S/C31H32F2N4O6/c1-17-11-31(43-37(17)13-20-8-9-21(32)10-23(20)33)12-24(38)18(2)35-15-25(31)36-14-22(29(34)40)27(39)28(26(36)30(35)41)42-16-19-6-4-3-5-7-19/h3-10,14,17-18,24-25,38H,11-13,15-16H2,1-2H3,(H2,34,40)/t17?,18-,24+,25+,31+/m0/s1
• InChIKey: BTWNLJHUGKFTMK-GVSLFDHKSA-N
• XLogP: 2.92
• TPSA: 127.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.62
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The IUPAC name of (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 170170267) is (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

What is the SMILES notation for (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The canonical SMILES for (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is CC1C[C@]2(C[C@@H](O)[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(OCc4ccccc4)c2C3=O)ON1Cc1ccc(F)cc1F.

What is the InChIKey of (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The InChIKey is BTWNLJHUGKFTMK-GVSLFDHKSA-N. The full InChI is InChI=1S/C31H32F2N4O6/c1-17-11-31(43-37(17)13-20-8-9-21(32)10-23(20)33)12-24(38)18(2)35-15-25(31)36-14-22(29(34)40)27(39)28(26(36)30(35)41)42-16-19-6-4-3-5-7-19/h3-10,14,17-18,24-25,38H,11-13,15-16H2,1-2H3,(H2,34,40)/t17?,18-,24+,25+,31+/m0/s1.

What are the key properties of (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

(1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 594.62 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 170170267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).