2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid

C19H28N2O5Si — CID 66874901

IUPAC2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1COCCN1c1nc2c(C(=O)O)cccc2o1
InChIInChI=1S/C19H28N2O5Si/c1-19(2,3)27(4,5)25-12-13-11-24-10-9-21(13)18-20-16-14(17(22)23)7-6-8-15(16)26-18/h6-8,13H,9-12H2,1-5H3,(H,22,23)
InChIKeyCFHPSIPNOUJATA-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.75
Rot. Bonds5

About 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid

2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid (PubChem CID 66874901) has the molecular formula C19H28N2O5Si and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid
PubChem CID66874901
Molecular FormulaC19H28N2O5Si
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1COCCN1c1nc2c(C(=O)O)cccc2o1
InChIInChI=1S/C19H28N2O5Si/c1-19(2,3)27(4,5)25-12-13-11-24-10-9-21(13)18-20-16-14(17(22)23)7-6-8-15(16)26-18/h6-8,13H,9-12H2,1-5H3,(H,22,23)
InChIKeyCFHPSIPNOUJATA-UHFFFAOYSA-N
XLogP3.75
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid (CID 66874901) is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid is CC(C)(C)[Si](C)(C)OCC1COCCN1c1nc2c(C(=O)O)cccc2o1.
What is the InChIKey of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is CFHPSIPNOUJATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5Si/c1-19(2,3)27(4,5)25-12-13-11-24-10-9-21(13)18-20-16-14(17(22)23)7-6-8-15(16)26-18/h6-8,13H,9-12H2,1-5H3,(H,22,23).
What are the key properties of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid?
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 392.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 66874901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).