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

C25H23FN4O5 — CID 67350287

IUPAC6-[(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
SMILESO=C1COc2ccc(N3C[C@@H](CNCCC4Cn5c(=O)ccc6ccc(F)c4c65)OC3=O)cc2N1
InChIInChI=1S/C25H23FN4O5/c26-18-4-1-14-2-6-22(32)30-11-15(23(18)24(14)30)7-8-27-10-17-12-29(25(33)35-17)16-3-5-20-19(9-16)28-21(31)13-34-20/h1-6,9,15,17,27H,7-8,10-13H2,(H,28,31)/t15?,17-/m1/s1
InChIKeyYBBCCBGWOQZTNT-OMOCHNIRSA-N
MW478.48 g/mol
LogP2.57
Rot. Bonds6

About 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

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 (PubChem CID 67350287) has the molecular formula C25H23FN4O5 and a molecular weight of 478.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID67350287
Molecular FormulaC25H23FN4O5
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name6-[(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
SMILESO=C1COc2ccc(N3C[C@@H](CNCCC4Cn5c(=O)ccc6ccc(F)c4c65)OC3=O)cc2N1
InChIInChI=1S/C25H23FN4O5/c26-18-4-1-14-2-6-22(32)30-11-15(23(18)24(14)30)7-8-27-10-17-12-29(25(33)35-17)16-3-5-20-19(9-16)28-21(31)13-34-20/h1-6,9,15,17,27H,7-8,10-13H2,(H,28,31)/t15?,17-/m1/s1
InChIKeyYBBCCBGWOQZTNT-OMOCHNIRSA-N
XLogP2.57
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67349051
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
CID 67351725
6-[(5S)-2-oxo-5-[2-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67351828
6-[(5R)-2-oxo-5-[[[(3S)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]methylamino]methyl]-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67351401
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[[(3S)-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 67350611
(5R)-3-(4-ethoxyphenyl)-5-[[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 45380697
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
6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737212
5-[2-[[(2R)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-yl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 68786815
(5S)-5-[2-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]methyl-(2-hydroxyethyl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67348508
6-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1COc2ccc(N3C[C@@H](CNCCC4Cn5c(=O)ccc6ccc(F)c4c65)OC3=O)cc2N1.
What is the InChIKey of 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?
The InChIKey is YBBCCBGWOQZTNT-OMOCHNIRSA-N. The full InChI is InChI=1S/C25H23FN4O5/c26-18-4-1-14-2-6-22(32)30-11-15(23(18)24(14)30)7-8-27-10-17-12-29(25(33)35-17)16-3-5-20-19(9-16)28-21(31)13-34-20/h1-6,9,15,17,27H,7-8,10-13H2,(H,28,31)/t15?,17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 478.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67350287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).