4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one

C19H33N3O3Si — CID 175795101

IUPAC4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
SMILESCc1ccc(CC(CN)N(C)C)c2c1oc(=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C19H33N3O3Si/c1-14-7-8-15(11-16(12-20)21(2)3)17-18(14)25-19(23)22(17)13-24-9-10-26(4,5)6/h7-8,16H,9-13,20H2,1-6H3
InChIKeyRNTSVOYDXNAZHN-UHFFFAOYSA-N
MW379.58 g/mol
LogP2.65
Rot. Bonds9

About 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one

4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one (PubChem CID 175795101) has the molecular formula C19H33N3O3Si and a molecular weight of 379.58 g/mol. Its IUPAC name is 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
PubChem CID175795101
Molecular FormulaC19H33N3O3Si
Molecular Weight379.58 g/mol
Exact Mass379.23
IUPAC Name4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
SMILESCc1ccc(CC(CN)N(C)C)c2c1oc(=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C19H33N3O3Si/c1-14-7-8-15(11-16(12-20)21(2)3)17-18(14)25-19(23)22(17)13-24-9-10-26(4,5)6/h7-8,16H,9-13,20H2,1-6H3
InChIKeyRNTSVOYDXNAZHN-UHFFFAOYSA-N
XLogP2.65
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one (CID 175795101) is 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one is Cc1ccc(CC(CN)N(C)C)c2c1oc(=O)n2COCC[Si](C)(C)C.
What is the InChIKey of 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
The InChIKey is RNTSVOYDXNAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3Si/c1-14-7-8-15(11-16(12-20)21(2)3)17-18(14)25-19(23)22(17)13-24-9-10-26(4,5)6/h7-8,16H,9-13,20H2,1-6H3.
What are the key properties of 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one has a molecular weight of 379.58 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(dimethylamino)propyl]-7-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 175795101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).