6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H21FN6O5 — CID 67352642

IUPAC6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3C[C@H](CCCN[C@@H]4Cn5c(=O)ccc6ncc(F)c4c65)OC3=O)nc2N1
InChIInChI=1S/C23H21FN6O5/c24-13-8-26-14-3-6-19(32)30-10-15(20(13)21(14)30)25-7-1-2-12-9-29(23(33)35-12)17-5-4-16-22(27-17)28-18(31)11-34-16/h3-6,8,12,15,25H,1-2,7,9-11H2,(H,27,28,31)/t12-,15+/m0/s1
InChIKeyFYYKKPXDWYWGMA-SWLSCSKDSA-N
MW480.46 g/mol
LogP1.71
Rot. Bonds6

About 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 67352642) has the molecular formula C23H21FN6O5 and a molecular weight of 480.46 g/mol. Its IUPAC name is 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID67352642
Molecular FormulaC23H21FN6O5
Molecular Weight480.46 g/mol
Exact Mass480.16
IUPAC Name6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3C[C@H](CCCN[C@@H]4Cn5c(=O)ccc6ncc(F)c4c65)OC3=O)nc2N1
InChIInChI=1S/C23H21FN6O5/c24-13-8-26-14-3-6-19(32)30-10-15(20(13)21(14)30)25-7-1-2-12-9-29(23(33)35-12)17-5-4-16-22(27-17)28-18(31)11-34-16/h3-6,8,12,15,25H,1-2,7,9-11H2,(H,27,28,31)/t12-,15+/m0/s1
InChIKeyFYYKKPXDWYWGMA-SWLSCSKDSA-N
XLogP1.71
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 67352642) is 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3C[C@H](CCCN[C@@H]4Cn5c(=O)ccc6ncc(F)c4c65)OC3=O)nc2N1.
What is the InChIKey of 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is FYYKKPXDWYWGMA-SWLSCSKDSA-N. The full InChI is InChI=1S/C23H21FN6O5/c24-13-8-26-14-3-6-19(32)30-10-15(20(13)21(14)30)25-7-1-2-12-9-29(23(33)35-12)17-5-4-16-22(27-17)28-18(31)11-34-16/h3-6,8,12,15,25H,1-2,7,9-11H2,(H,27,28,31)/t12-,15+/m0/s1.
What are the key properties of 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 480.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 67352642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).