N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H32N4O5Si — CID 70279145

IUPACN-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCc2nc(CO[Si](C)(C)C(C)(C)C)cn2-3)C(=O)O1
InChIInChI=1S/C23H32N4O5Si/c1-15(28)24-10-18-12-26(22(29)32-18)17-7-8-19-20(9-17)30-14-21-25-16(11-27(19)21)13-31-33(5,6)23(2,3)4/h7-9,11,18H,10,12-14H2,1-6H3,(H,24,28)/t18-/m0/s1
InChIKeyJTJUIGWPFIEGIS-SFHVURJKSA-N
MW472.62 g/mol
LogP3.75
Rot. Bonds6

About N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70279145) has the molecular formula C23H32N4O5Si and a molecular weight of 472.62 g/mol. Its IUPAC name is N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70279145
Molecular FormulaC23H32N4O5Si
Molecular Weight472.62 g/mol
Exact Mass472.21
IUPAC NameN-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCc2nc(CO[Si](C)(C)C(C)(C)C)cn2-3)C(=O)O1
InChIInChI=1S/C23H32N4O5Si/c1-15(28)24-10-18-12-26(22(29)32-18)17-7-8-19-20(9-17)30-14-21-25-16(11-27(19)21)13-31-33(5,6)23(2,3)4/h7-9,11,18H,10,12-14H2,1-6H3,(H,24,28)/t18-/m0/s1
InChIKeyJTJUIGWPFIEGIS-SFHVURJKSA-N
XLogP3.75
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide 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

N-[[(5S)-3-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57030886
N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214261
tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane
CID 70284906
N-[[3-(3-cyanoimino-4-methyl-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 85417223
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[4-[4-[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59749465
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70279145) is N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)OCc2nc(CO[Si](C)(C)C(C)(C)C)cn2-3)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JTJUIGWPFIEGIS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N4O5Si/c1-15(28)24-10-18-12-26(22(29)32-18)17-7-8-19-20(9-17)30-14-21-25-16(11-27(19)21)13-31-33(5,6)23(2,3)4/h7-9,11,18H,10,12-14H2,1-6H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 472.62 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70279145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).