6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H19FN6O5 — CID 86342048

IUPAC6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(-n3nc(CCCN[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)oc3=O)nc2N1
InChIInChI=1S/C23H19FN6O5/c24-13-5-3-12-4-8-19(32)29-10-14(20(13)21(12)29)25-9-1-2-18-28-30(23(33)35-18)16-7-6-15-22(26-16)27-17(31)11-34-15/h3-8,14,25H,1-2,9-11H2,(H,26,27,31)/t14-/m1/s1
InChIKeyAYLSAEPWYQJCSQ-CQSZACIVSA-N
MW478.44 g/mol
LogP1.28
Rot. Bonds6

About 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 86342048) has the molecular formula C23H19FN6O5 and a molecular weight of 478.44 g/mol. Its IUPAC name is 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID86342048
Molecular FormulaC23H19FN6O5
Molecular Weight478.44 g/mol
Exact Mass478.14
IUPAC Name6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(-n3nc(CCCN[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)oc3=O)nc2N1
InChIInChI=1S/C23H19FN6O5/c24-13-5-3-12-4-8-19(32)29-10-14(20(13)21(12)29)25-9-1-2-18-28-30(23(33)35-18)16-7-6-15-22(26-16)27-17(31)11-34-15/h3-8,14,25H,1-2,9-11H2,(H,26,27,31)/t14-/m1/s1
InChIKeyAYLSAEPWYQJCSQ-CQSZACIVSA-N
XLogP1.28
TPSA133.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(5S)-2-oxo-5-[3-[[(3S)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 135308259
5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(4-propylphenyl)-1,3,4-oxadiazol-2-one
CID 86342151
6-[5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146458463
6-[[[1-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24890996
6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156861871
6-[(5R)-5-[[3-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)propylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490472
6-[(5R)-5-[[2-(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67350287
(3S)-5-fluoro-3-[3-[(1R)-3-oxo-5-phenyl-1H-2-benzofuran-1-yl]propylamino]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 118936705
(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350157
(5R)-5-[3-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350984
3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one
CID 67351410
(5S)-5-[3-[[(3R)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67348783

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 86342048) is 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(-n3nc(CCCN[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)oc3=O)nc2N1.
What is the InChIKey of 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AYLSAEPWYQJCSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19FN6O5/c24-13-5-3-12-4-8-19(32)29-10-14(20(13)21(12)29)25-9-1-2-18-28-30(23(33)35-18)16-7-6-15-22(26-16)27-17(31)11-34-15/h3-8,14,25H,1-2,9-11H2,(H,26,27,31)/t14-/m1/s1.
What are the key properties of 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 478.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 86342048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).