[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen

C34H41F2N5O11 — CID 176979478

About [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen

[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen (PubChem CID 176979478) has the molecular formula C34H41F2N5O11 and a molecular weight of 733.72 g/mol. Its IUPAC name is [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen.

Molecular Properties

• Compound Name: [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen
• PubChem CID: 176979478
• Molecular Formula: C34H41F2N5O11
• Molecular Weight: 733.72 g/mol
• Exact Mass: 733.28
• IUPAC Name: [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen
• SMILES: C=O.CCC1(COC(=O)OCOc2c3n(cc(C(=O)NCc4ccc(F)cc4F)c2=O)[C@@H]2CN(C3=O)[C@@H](C)CC[C@]23CC(C)=NO3)COC(=O)N1C.[H][H]
• InChI: InChI=1S/C33H37F2N5O10.CH2O.H2/c1-5-32(15-46-30(44)38(32)4)16-47-31(45)49-17-48-27-25-29(43)39-14-24(33(9-8-19(39)3)11-18(2)37-50-33)40(25)13-22(26(27)41)28(42)36-12-20-6-7-21(34)10-23(20)35;1-2;/h6-7,10,13,19,24H,5,8-9,11-12,14-17H2,1-4H3,(H,36,42);1H2;1H/t19-,24+,32?,33-;;/m0../s1
• InChIKey: IXMNHPRNTRILCT-YYFMLTAVSA-N
• XLogP: 3.55
• TPSA: 184.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.72
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen?

The IUPAC name of [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen (CID 176979478) is [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen.

What is the SMILES notation for [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen?

The canonical SMILES for [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen is C=O.CCC1(COC(=O)OCOc2c3n(cc(C(=O)NCc4ccc(F)cc4F)c2=O)[C@@H]2CN(C3=O)[C@@H](C)CC[C@]23CC(C)=NO3)COC(=O)N1C.[H][H].

What is the InChIKey of [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen?

The InChIKey is IXMNHPRNTRILCT-YYFMLTAVSA-N. The full InChI is InChI=1S/C33H37F2N5O10.CH2O.H2/c1-5-32(15-46-30(44)38(32)4)16-47-31(45)49-17-48-27-25-29(43)39-14-24(33(9-8-19(39)3)11-18(2)37-50-33)40(25)13-22(26(27)41)28(42)36-12-20-6-7-21(34)10-23(20)35;1-2;/h6-7,10,13,19,24H,5,8-9,11-12,14-17H2,1-4H3,(H,36,42);1H2;1H/t19-,24+,32?,33-;;/m0../s1.

What are the key properties of [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen?

[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen has a molecular weight of 733.72 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl (4-ethyl-3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl carbonate;formaldehyde;molecular hydrogen is sourced from PubChem (CID 176979478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).