(1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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

C32H31F3N4O6 — CID 169314498

About (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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 169314498) has the molecular formula C32H31F3N4O6 and a molecular weight of 624.62 g/mol. Its IUPAC name is (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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: 169314498
• Molecular Formula: C32H31F3N4O6
• Molecular Weight: 624.62 g/mol
• Exact Mass: 624.22
• IUPAC Name: (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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: COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)[C@@H]1CN(C2=O)[C@@H](C)CC[C@]12CC(=O)N([C@@H](C)c1ccccc1)O2
• InChI: InChI=1S/C32H31F3N4O6/c1-17-9-10-32(13-26(40)39(45-32)18(2)19-7-5-4-6-8-19)25-16-37(17)31(43)27-29(44-3)28(41)22(15-38(25)27)30(42)36-14-21-23(34)11-20(33)12-24(21)35/h4-8,11-12,15,17-18,25H,9-10,13-14,16H2,1-3H3,(H,36,42)/t17-,18-,25+,32-/m0/s1
• InChIKey: INNQKNWQSYTXBN-DFPCYTLGSA-N
• XLogP: 4.05
• TPSA: 110.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.62
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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 169314498) is (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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 COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)[C@@H]1CN(C2=O)[C@@H](C)CC[C@]12CC(=O)N([C@@H](C)c1ccccc1)O2.

What is the InChIKey of (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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 INNQKNWQSYTXBN-DFPCYTLGSA-N. The full InChI is InChI=1S/C32H31F3N4O6/c1-17-9-10-32(13-26(40)39(45-32)18(2)19-7-5-4-6-8-19)25-16-37(17)31(43)27-29(44-3)28(41)22(15-38(25)27)30(42)36-14-21-23(34)11-20(33)12-24(21)35/h4-8,11-12,15,17-18,25H,9-10,13-14,16H2,1-3H3,(H,36,42)/t17-,18-,25+,32-/m0/s1.

What are the key properties of (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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 624.62 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(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 169314498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).