[2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate

C22H27N3O7 — CID 75305914

IUPAC[2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate
SMILESCCOC(=O)OCC(=O)N1CC2CC2(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2)C1
InChIInChI=1S/C22H27N3O7/c1-3-30-21(29)31-12-19(27)24-10-16-8-22(16,13-24)15-4-6-17(7-5-15)25-11-18(32-20(25)28)9-23-14(2)26/h4-7,16,18H,3,8-13H2,1-2H3,(H,23,26)
InChIKeyFKAJTVKFWSEHTK-UHFFFAOYSA-N
MW445.47 g/mol
LogP1.42
Rot. Bonds7

About [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate

[2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate (PubChem CID 75305914) has the molecular formula C22H27N3O7 and a molecular weight of 445.47 g/mol. Its IUPAC name is [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate.

Molecular Properties

Compound Name[2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate
PubChem CID75305914
Molecular FormulaC22H27N3O7
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Name[2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate
SMILESCCOC(=O)OCC(=O)N1CC2CC2(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2)C1
InChIInChI=1S/C22H27N3O7/c1-3-30-21(29)31-12-19(27)24-10-16-8-22(16,13-24)15-4-6-17(7-5-15)25-11-18(32-20(25)28)9-23-14(2)26/h4-7,16,18H,3,8-13H2,1-2H3,(H,23,26)
InChIKeyFKAJTVKFWSEHTK-UHFFFAOYSA-N
XLogP1.42
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate with MolForge

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Related Compounds

N-[[3-[4-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75305852
N-[[2-oxo-3-[4-(3-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90990202
N-[[3-[4-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67981345
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
methyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 67509762
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5S)-3-[4-[(1R,5S)-6-cyano-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11463670
(5S)-5-(3-oxobutyl)-3-[4-[3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 148515091
N-[[(5S)-3-[4-[(1S,5R)-6-cyano-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11772613
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide
CID 148965387

Frequently Asked Questions

What is the IUPAC name of [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate?
The IUPAC name of [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate (CID 75305914) is [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate.
What is the SMILES notation for [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate?
The canonical SMILES for [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate is CCOC(=O)OCC(=O)N1CC2CC2(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2)C1.
What is the InChIKey of [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate?
The InChIKey is FKAJTVKFWSEHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7/c1-3-30-21(29)31-12-19(27)24-10-16-8-22(16,13-24)15-4-6-17(7-5-15)25-11-18(32-20(25)28)9-23-14(2)26/h4-7,16,18H,3,8-13H2,1-2H3,(H,23,26).
What are the key properties of [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate?
[2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate has a molecular weight of 445.47 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl] ethyl carbonate is sourced from PubChem (CID 75305914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).