6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one

C24H30N2O5Si — CID 177251419

IUPAC6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(c1)[C@H](C)N(Cc1ccc3c(c1)oc(=O)n3COCC[Si](C)(C)C)C2=O
InChIInChI=1S/C24H30N2O5Si/c1-16-20-13-18(29-2)7-8-19(20)23(27)25(16)14-17-6-9-21-22(12-17)31-24(28)26(21)15-30-10-11-32(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3/t16-/m0/s1
InChIKeyAXAMUZAFWAREAH-INIZCTEOSA-N
MW454.60 g/mol
LogP4.63
Rot. Bonds8

About 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one

6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one (PubChem CID 177251419) has the molecular formula C24H30N2O5Si and a molecular weight of 454.60 g/mol. Its IUPAC name is 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
PubChem CID177251419
Molecular FormulaC24H30N2O5Si
Molecular Weight454.60 g/mol
Exact Mass454.19
IUPAC Name6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(c1)[C@H](C)N(Cc1ccc3c(c1)oc(=O)n3COCC[Si](C)(C)C)C2=O
InChIInChI=1S/C24H30N2O5Si/c1-16-20-13-18(29-2)7-8-19(20)23(27)25(16)14-17-6-9-21-22(12-17)31-24(28)26(21)15-30-10-11-32(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3/t16-/m0/s1
InChIKeyAXAMUZAFWAREAH-INIZCTEOSA-N
XLogP4.63
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.63
H-Bond Donors ≤ 50
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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Related Compounds

tert-butyl 6-[[3-methyl-1-oxo-2-[[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-6-yl]methyl]-3H-isoindol-5-yl]oxy]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177251391
6-[[1-[(2-fluorophenyl)methyl]-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
CID 176906653
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-6-yl]propan-2-yl]carbamate
CID 174189073
6-iodo-5-methoxy-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
CID 176901327
6-[(2S)-3-amino-2-(dimethylamino)propyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one;2-[(2S)-2-(dimethylamino)-3-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-6-yl]propyl]isoindole-1,3-dione;hydrazine;hydrate
CID 167538165
4-[[1-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
CID 177306896
5-bromo-3-ethyl-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 177210252
6-[2-amino-5-[bis[(4-methoxyphenyl)methyl]amino]-6-fluoroquinazolin-7-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
CID 163290826
1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione
CID 174059991
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
6-[[(1S)-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 176906727
tert-butyl 2-[[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]methyl]-3-oxoindazole-1-carboxylate
CID 176906816

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one (CID 177251419) is 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one is COc1ccc2c(c1)[C@H](C)N(Cc1ccc3c(c1)oc(=O)n3COCC[Si](C)(C)C)C2=O.
What is the InChIKey of 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
The InChIKey is AXAMUZAFWAREAH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H30N2O5Si/c1-16-20-13-18(29-2)7-8-19(20)23(27)25(16)14-17-6-9-21-22(12-17)31-24(28)26(21)15-30-10-11-32(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3/t16-/m0/s1.
What are the key properties of 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?
6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one has a molecular weight of 454.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-6-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 177251419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).