(1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide

C37H43F3N4O7Si — CID 169314356

About (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide

(1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide (PubChem CID 169314356) has the molecular formula C37H43F3N4O7Si and a molecular weight of 740.85 g/mol. Its IUPAC name is (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide.

Molecular Properties

• Compound Name: (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
• PubChem CID: 169314356
• Molecular Formula: C37H43F3N4O7Si
• Molecular Weight: 740.85 g/mol
• Exact Mass: 740.29
• IUPAC Name: (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
• SMILES: COC1=NO[C@@]2(CC[C@H](CO[Si](C)(C)C(C)(C)C)N3C[C@H]2n2cc(C(=O)NCc4c(F)cc(F)cc4F)c(=O)c(OCc4ccccc4)c2C3=O)C1
• InChI: InChI=1S/C37H43F3N4O7Si/c1-36(2,3)52(5,6)50-21-24-12-13-37(16-30(48-4)42-51-37)29-19-43(24)35(47)31-33(49-20-22-10-8-7-9-11-22)32(45)26(18-44(29)31)34(46)41-17-25-27(39)14-23(38)15-28(25)40/h7-11,14-15,18,24,29H,12-13,16-17,19-21H2,1-6H3,(H,41,46)/t24-,29-,37+/m1/s1
• InChIKey: WZLQBJGKJWMOKN-GHBMEKOBSA-N
• XLogP: 6.07
• TPSA: 120.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.85
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide?

The IUPAC name of (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide (CID 169314356) is (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide.

What is the SMILES notation for (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide?

The canonical SMILES for (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide is COC1=NO[C@@]2(CC[C@H](CO[Si](C)(C)C(C)(C)C)N3C[C@H]2n2cc(C(=O)NCc4c(F)cc(F)cc4F)c(=O)c(OCc4ccccc4)c2C3=O)C1.

What is the InChIKey of (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide?

The InChIKey is WZLQBJGKJWMOKN-GHBMEKOBSA-N. The full InChI is InChI=1S/C37H43F3N4O7Si/c1-36(2,3)52(5,6)50-21-24-12-13-37(16-30(48-4)42-51-37)29-19-43(24)35(47)31-33(49-20-22-10-8-7-9-11-22)32(45)26(18-44(29)31)34(46)41-17-25-27(39)14-23(38)15-28(25)40/h7-11,14-15,18,24,29H,12-13,16-17,19-21H2,1-6H3,(H,41,46)/t24-,29-,37+/m1/s1.

What are the key properties of (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide?

(1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide has a molecular weight of 740.85 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,10R,13S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-methoxy-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide is sourced from PubChem (CID 169314356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).