(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

C20H28N2O6Si — CID 90295570

IUPAC(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)N2c3ccc(N4CCOC4=O)cc3OC[C@@H]12
InChIInChI=1S/C20H28N2O6Si/c1-20(2,3)29(4,5)27-12-17-15-11-26-16-10-13(21-8-9-25-18(21)23)6-7-14(16)22(15)19(24)28-17/h6-7,10,15,17H,8-9,11-12H2,1-5H3/t15-,17-/m0/s1
InChIKeySRDDIXXEQKHFFM-RDJZCZTQSA-N
MW420.54 g/mol
LogP3.75
Rot. Bonds4

About (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (PubChem CID 90295570) has the molecular formula C20H28N2O6Si and a molecular weight of 420.54 g/mol. Its IUPAC name is (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
PubChem CID90295570
Molecular FormulaC20H28N2O6Si
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)N2c3ccc(N4CCOC4=O)cc3OC[C@@H]12
InChIInChI=1S/C20H28N2O6Si/c1-20(2,3)29(4,5)27-12-17-15-11-26-16-10-13(21-8-9-25-18(21)23)6-7-14(16)22(15)19(24)28-17/h6-7,10,15,17H,8-9,11-12H2,1-5H3/t15-,17-/m0/s1
InChIKeySRDDIXXEQKHFFM-RDJZCZTQSA-N
XLogP3.75
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The IUPAC name of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (CID 90295570) is (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.
What is the SMILES notation for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The canonical SMILES for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)N2c3ccc(N4CCOC4=O)cc3OC[C@@H]12.
What is the InChIKey of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The InChIKey is SRDDIXXEQKHFFM-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H28N2O6Si/c1-20(2,3)29(4,5)27-12-17-15-11-26-16-10-13(21-8-9-25-18(21)23)6-7-14(16)22(15)19(24)28-17/h6-7,10,15,17H,8-9,11-12H2,1-5H3/t15-,17-/m0/s1.
What are the key properties of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one has a molecular weight of 420.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 90295570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).