7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one

C21H38N2O4Si2 — CID 156775068

IUPAC7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@H](CN)O[Si](C)(C)C(C)(C)C)c2oc(=O)[nH]c12
InChIInChI=1S/C21H38N2O4Si2/c1-20(2,3)28(7,8)26-15-12-11-14(18-17(15)23-19(24)25-18)16(13-22)27-29(9,10)21(4,5)6/h11-12,16H,13,22H2,1-10H3,(H,23,24)/t16-/m0/s1
InChIKeyOIPSGZCZDHVKPB-INIZCTEOSA-N
MW438.72 g/mol
LogP5.53
Rot. Bonds6

About 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one

7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one (PubChem CID 156775068) has the molecular formula C21H38N2O4Si2 and a molecular weight of 438.72 g/mol. Its IUPAC name is 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one
PubChem CID156775068
Molecular FormulaC21H38N2O4Si2
Molecular Weight438.72 g/mol
Exact Mass438.24
IUPAC Name7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@H](CN)O[Si](C)(C)C(C)(C)C)c2oc(=O)[nH]c12
InChIInChI=1S/C21H38N2O4Si2/c1-20(2,3)28(7,8)26-15-12-11-14(18-17(15)23-19(24)25-18)16(13-22)27-29(9,10)21(4,5)6/h11-12,16H,13,22H2,1-10H3,(H,23,24)/t16-/m0/s1
InChIKeyOIPSGZCZDHVKPB-INIZCTEOSA-N
XLogP5.53
TPSA90.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.72
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one (CID 156775068) is 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one is CC(C)(C)[Si](C)(C)Oc1ccc([C@H](CN)O[Si](C)(C)C(C)(C)C)c2oc(=O)[nH]c12.
What is the InChIKey of 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one?
The InChIKey is OIPSGZCZDHVKPB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H38N2O4Si2/c1-20(2,3)28(7,8)26-15-12-11-14(18-17(15)23-19(24)25-18)16(13-22)27-29(9,10)21(4,5)6/h11-12,16H,13,22H2,1-10H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one?
7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one has a molecular weight of 438.72 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 156775068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).