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

C25H28F3N5O5 — CID 170169621

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

(1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 170169621) has the molecular formula C25H28F3N5O5 and a molecular weight of 535.52 g/mol. Its IUPAC name is (1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[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,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• PubChem CID: 170169621
• Molecular Formula: C25H28F3N5O5
• Molecular Weight: 535.52 g/mol
• Exact Mass: 535.20
• IUPAC Name: (1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• SMILES: C[C@H]1CC[C@]2(CC(N(C)C)N(Cc3c(F)cc(F)cc3F)O2)[C@H]2CN1C(=O)c1c(O)c(=O)c(C(N)=O)cn12
• InChI: InChI=1S/C25H28F3N5O5/c1-12-4-5-25(8-19(30(2)3)33(38-25)10-14-16(27)6-13(26)7-17(14)28)18-11-31(12)24(37)20-22(35)21(34)15(23(29)36)9-32(18)20/h6-7,9,12,18-19,35H,4-5,8,10-11H2,1-3H3,(H2,29,36)/t12-,18+,19?,25-/m0/s1
• InChIKey: MOHOXVDOYKAXBQ-JNHHDJLBSA-N
• XLogP: 1.71
• TPSA: 121.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.52
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[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,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 170169621) is (1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[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,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[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,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is C[C@H]1CC[C@]2(CC(N(C)C)N(Cc3c(F)cc(F)cc3F)O2)[C@H]2CN1C(=O)c1c(O)c(=O)c(C(N)=O)cn12.

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

The InChIKey is MOHOXVDOYKAXBQ-JNHHDJLBSA-N. The full InChI is InChI=1S/C25H28F3N5O5/c1-12-4-5-25(8-19(30(2)3)33(38-25)10-14-16(27)6-13(26)7-17(14)28)18-11-31(12)24(37)20-22(35)21(34)15(23(29)36)9-32(18)20/h6-7,9,12,18-19,35H,4-5,8,10-11H2,1-3H3,(H2,29,36)/t12-,18+,19?,25-/m0/s1.

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

(1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 535.52 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 170169621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).