(1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C32H34FN5O6 — CID 174147956

About (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 174147956) has the molecular formula C32H34FN5O6 and a molecular weight of 603.65 g/mol. Its IUPAC name is (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-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)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• PubChem CID: 174147956
• Molecular Formula: C32H34FN5O6
• Molecular Weight: 603.65 g/mol
• Exact Mass: 603.25
• IUPAC Name: (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• SMILES: COc1ccc(CN2C(C)=NO[C@@]23CC[C@H](C)N2C[C@H]3n3cc(C(=O)NCc4ccc(C)cc4F)c(=O)c(O)c3C2=O)cc1
• InChI: InChI=1S/C32H34FN5O6/c1-18-5-8-22(25(33)13-18)14-34-30(41)24-16-37-26-17-36(31(42)27(37)29(40)28(24)39)19(2)11-12-32(26)38(20(3)35-44-32)15-21-6-9-23(43-4)10-7-21/h5-10,13,16,19,26,40H,11-12,14-15,17H2,1-4H3,(H,34,41)/t19-,26+,32+/m0/s1
• InChIKey: SUYXQAIPPPAWCO-SJDKQRRASA-N
• XLogP: 3.68
• TPSA: 125.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.65
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-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)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 174147956) is (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-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)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-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)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is COc1ccc(CN2C(C)=NO[C@@]23CC[C@H](C)N2C[C@H]3n3cc(C(=O)NCc4ccc(C)cc4F)c(=O)c(O)c3C2=O)cc1.

What is the InChIKey of (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The InChIKey is SUYXQAIPPPAWCO-SJDKQRRASA-N. The full InChI is InChI=1S/C32H34FN5O6/c1-18-5-8-22(25(33)13-18)14-34-30(41)24-16-37-26-17-36(31(42)27(37)29(40)28(24)39)19(2)11-12-32(26)38(20(3)35-44-32)15-21-6-9-23(43-4)10-7-21/h5-10,13,16,19,26,40H,11-12,14-15,17H2,1-4H3,(H,34,41)/t19-,26+,32+/m0/s1.

What are the key properties of (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

(1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 603.65 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,5R,10'S)-N-[(2-fluoro-4-methylphenyl)methyl]-6'-hydroxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 174147956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).