(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

C24H24FN3O4 — CID 45380697

IUPAC(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
SMILESCCOc1ccc(N2C[C@@H](CNCC3Cn4c(=O)ccc5ccc(F)c3c54)OC2=O)cc1
InChIInChI=1S/C24H24FN3O4/c1-2-31-18-7-5-17(6-8-18)27-14-19(32-24(27)30)12-26-11-16-13-28-21(29)10-4-15-3-9-20(25)22(16)23(15)28/h3-10,16,19,26H,2,11-14H2,1H3/t16?,19-/m1/s1
InChIKeyUORMLCCKFDKQDF-LRTDYKAYSA-N
MW437.47 g/mol
LogP3.25
Rot. Bonds7

About (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

(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 (PubChem CID 45380697) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID45380697
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name(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
SMILESCCOc1ccc(N2C[C@@H](CNCC3Cn4c(=O)ccc5ccc(F)c3c54)OC2=O)cc1
InChIInChI=1S/C24H24FN3O4/c1-2-31-18-7-5-17(6-8-18)27-14-19(32-24(27)30)12-26-11-16-13-28-21(29)10-4-15-3-9-20(25)22(16)23(15)28/h3-10,16,19,26H,2,11-14H2,1H3/t16?,19-/m1/s1
InChIKeyUORMLCCKFDKQDF-LRTDYKAYSA-N
XLogP3.25
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
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
(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
[(5S)-3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 139799629
(5R)-5-[[[(3S)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 90149757
(5R)-5-[[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 45381006
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
(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 67351939
(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
5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 177383234

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOc1ccc(N2C[C@@H](CNCC3Cn4c(=O)ccc5ccc(F)c3c54)OC2=O)cc1.
What is the InChIKey of (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?
The InChIKey is UORMLCCKFDKQDF-LRTDYKAYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-2-31-18-7-5-17(6-8-18)27-14-19(32-24(27)30)12-26-11-16-13-28-21(29)10-4-15-3-9-20(25)22(16)23(15)28/h3-10,16,19,26H,2,11-14H2,1H3/t16?,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 437.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 45380697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).