3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

C23H24FN5O8 — CID 154192444

About 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (PubChem CID 154192444) has the molecular formula C23H24FN5O8 and a molecular weight of 517.47 g/mol. Its IUPAC name is 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.

Molecular Properties

• Compound Name: 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
• PubChem CID: 154192444
• Molecular Formula: C23H24FN5O8
• Molecular Weight: 517.47 g/mol
• Exact Mass: 517.16
• IUPAC Name: 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
• SMILES: CC1OC(C)C2N(c3cc4onc(N5C(=O)OC[C@@H]5CCO)c4cc3CC23C(=O)NC(=O)NC3=O)C1F
• InChI: InChI=1S/C23H24FN5O8/c1-9-16-23(19(31)25-21(33)26-20(23)32)7-11-5-13-15(6-14(11)29(16)17(24)10(2)36-9)37-27-18(13)28-12(3-4-30)8-35-22(28)34/h5-6,9-10,12,16-17,30H,3-4,7-8H2,1-2H3,(H2,25,26,31,32,33)/t9?,10?,12-,16?,17?/m0/s1
• InChIKey: LSOBFESLNGUCBD-IHWXNRRGSA-N
• XLogP: 0.72
• TPSA: 163.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.47
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

The IUPAC name of 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (CID 154192444) is 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.

What is the SMILES notation for 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

The canonical SMILES for 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is CC1OC(C)C2N(c3cc4onc(N5C(=O)OC[C@@H]5CCO)c4cc3CC23C(=O)NC(=O)NC3=O)C1F.

What is the InChIKey of 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

The InChIKey is LSOBFESLNGUCBD-IHWXNRRGSA-N. The full InChI is InChI=1S/C23H24FN5O8/c1-9-16-23(19(31)25-21(33)26-20(23)32)7-11-5-13-15(6-14(11)29(16)17(24)10(2)36-9)37-27-18(13)28-12(3-4-30)8-35-22(28)34/h5-6,9-10,12,16-17,30H,3-4,7-8H2,1-2H3,(H2,25,26,31,32,33)/t9?,10?,12-,16?,17?/m0/s1.

What are the key properties of 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione has a molecular weight of 517.47 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-fluoro-13'-[(4S)-4-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is sourced from PubChem (CID 154192444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).