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

C24H22N4O5 — CID 67351401

IUPAC6-[(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
SMILESO=C1COc2ccc(N3C[C@@H](CNC[C@H]4Cn5c(=O)ccc6cccc4c65)OC3=O)cc2N1
InChIInChI=1S/C24H22N4O5/c29-21-13-32-20-6-5-16(8-19(20)26-21)27-12-17(33-24(27)31)10-25-9-15-11-28-22(30)7-4-14-2-1-3-18(15)23(14)28/h1-8,15,17,25H,9-13H2,(H,26,29)/t15-,17+/m0/s1
InChIKeyXNENLWPCJKYDPS-DOTOQJQBSA-N
MW446.46 g/mol
LogP2.04
Rot. Bonds5

About 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

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 (PubChem CID 67351401) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID67351401
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name6-[(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
SMILESO=C1COc2ccc(N3C[C@@H](CNC[C@H]4Cn5c(=O)ccc6cccc4c65)OC3=O)cc2N1
InChIInChI=1S/C24H22N4O5/c29-21-13-32-20-6-5-16(8-19(20)26-21)27-12-17(33-24(27)31)10-25-9-15-11-28-22(30)7-4-14-2-1-3-18(15)23(14)28/h1-8,15,17,25H,9-13H2,(H,26,29)/t15-,17+/m0/s1
InChIKeyXNENLWPCJKYDPS-DOTOQJQBSA-N
XLogP2.04
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
(5R)-5-[[[(3R)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 90149714
(5R)-5-[[[(3S)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 90149732
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
5-[3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350282
6-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971
(5R)-5-[[[(2R)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 68787196
(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-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737212
6-[(5R)-5-[[[(9S)-2-methoxy-9,10-dihydro-8H-pyrano[2,3-h]quinolin-9-yl]methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67223039
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1COc2ccc(N3C[C@@H](CNC[C@H]4Cn5c(=O)ccc6cccc4c65)OC3=O)cc2N1.
What is the InChIKey of 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?
The InChIKey is XNENLWPCJKYDPS-DOTOQJQBSA-N. The full InChI is InChI=1S/C24H22N4O5/c29-21-13-32-20-6-5-16(8-19(20)26-21)27-12-17(33-24(27)31)10-25-9-15-11-28-22(30)7-4-14-2-1-3-18(15)23(14)28/h1-8,15,17,25H,9-13H2,(H,26,29)/t15-,17+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 446.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67351401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).