(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

C24H34N2O7Si — CID 90295557

IUPAC(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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(N4CCC5(CC4=O)OCCO5)cc3OC[C@@H]12
InChIInChI=1S/C24H34N2O7Si/c1-23(2,3)34(4,5)32-15-20-18-14-29-19-12-16(6-7-17(19)26(18)22(28)33-20)25-9-8-24(13-21(25)27)30-10-11-31-24/h6-7,12,18,20H,8-11,13-15H2,1-5H3/t18-,20-/m0/s1
InChIKeyUIOHZIXGZJNTKM-ICSRJNTNSA-N
MW490.63 g/mol
LogP3.66
Rot. Bonds4

About (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (PubChem CID 90295557) has the molecular formula C24H34N2O7Si and a molecular weight of 490.63 g/mol. Its IUPAC name is (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
PubChem CID90295557
Molecular FormulaC24H34N2O7Si
Molecular Weight490.63 g/mol
Exact Mass490.21
IUPAC Name(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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(N4CCC5(CC4=O)OCCO5)cc3OC[C@@H]12
InChIInChI=1S/C24H34N2O7Si/c1-23(2,3)34(4,5)32-15-20-18-14-29-19-12-16(6-7-17(19)26(18)22(28)33-20)25-9-8-24(13-21(25)27)30-10-11-31-24/h6-7,12,18,20H,8-11,13-15H2,1-5H3/t18-,20-/m0/s1
InChIKeyUIOHZIXGZJNTKM-ICSRJNTNSA-N
XLogP3.66
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (CID 90295557) is (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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(N4CCC5(CC4=O)OCCO5)cc3OC[C@@H]12.
What is the InChIKey of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The InChIKey is UIOHZIXGZJNTKM-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H34N2O7Si/c1-23(2,3)34(4,5)32-15-20-18-14-29-19-12-16(6-7-17(19)26(18)22(28)33-20)25-9-8-24(13-21(25)27)30-10-11-31-24/h6-7,12,18,20H,8-11,13-15H2,1-5H3/t18-,20-/m0/s1.
What are the key properties of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-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-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one has a molecular weight of 490.63 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 90295557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).