trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane

C24H35NOSi2 — CID 134843674

IUPACtrimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane
SMILESC[Si](C)(C)/C=C(/C=C1/CCCc2oc(CCc3ccccc3)nc21)[Si](C)(C)C
InChIInChI=1S/C24H35NOSi2/c1-27(2,3)18-21(28(4,5)6)17-20-13-10-14-22-24(20)25-23(26-22)16-15-19-11-8-7-9-12-19/h7-9,11-12,17-18H,10,13-16H2,1-6H3/b20-17-,21-18-
InChIKeyFEFHUICAYYBTEO-HIOQQWDOSA-N
MW409.72 g/mol
LogP6.86
Rot. Bonds6

About trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane

trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane (PubChem CID 134843674) has the molecular formula C24H35NOSi2 and a molecular weight of 409.72 g/mol. Its IUPAC name is trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane
PubChem CID134843674
Molecular FormulaC24H35NOSi2
Molecular Weight409.72 g/mol
Exact Mass409.23
IUPAC Nametrimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane
SMILESC[Si](C)(C)/C=C(/C=C1/CCCc2oc(CCc3ccccc3)nc21)[Si](C)(C)C
InChIInChI=1S/C24H35NOSi2/c1-27(2,3)18-21(28(4,5)6)17-20-13-10-14-22-24(20)25-23(26-22)16-15-19-11-8-7-9-12-19/h7-9,11-12,17-18H,10,13-16H2,1-6H3/b20-17-,21-18-
InChIKeyFEFHUICAYYBTEO-HIOQQWDOSA-N
XLogP6.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.72
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane with MolForge

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Related Compounds

Oxazole, 2,5-dimethyl-4-phenyl-
CID 599323
Oxazole, 2,5-diethyl-4-phenyl-
CID 608429
4,5-Dimethyl-2-phenethyl-oxazole
CID 12742210
5-Ethyl-2-methyl-4-phenyl-1,3-oxazole
CID 15684507
2-Ethyl-5-methyl-4-phenyl-1,3-oxazole
CID 20579226
5-Methyl-4-phenyl-2-propyl-1,3-oxazole
CID 118043112
5-Benzyl-2,4-dimethyl-1,3-oxazole
CID 384232
4-(2,3-Dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole
CID 123485159
2-[(2E,4Z,6E)-6-cyclopropyl-3-fluoronona-2,4,6-trien-4-yl]-4-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 178040597
(4R)-4-[(4-fluorophenyl)methyl]-2-[(2E,4Z,6Z)-3-fluoro-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 178040876
(4R)-2-[(2E,4E,6Z)-3-(fluoromethyl)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 178040920
2-But-3-enyl-5-methyl-4-phenyl-1,3-oxazole
CID 12742221

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane?
The IUPAC name of trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane (CID 134843674) is trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane?
The canonical SMILES for trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane is C[Si](C)(C)/C=C(/C=C1/CCCc2oc(CCc3ccccc3)nc21)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane?
The InChIKey is FEFHUICAYYBTEO-HIOQQWDOSA-N. The full InChI is InChI=1S/C24H35NOSi2/c1-27(2,3)18-21(28(4,5)6)17-20-13-10-14-22-24(20)25-23(26-22)16-15-19-11-8-7-9-12-19/h7-9,11-12,17-18H,10,13-16H2,1-6H3/b20-17-,21-18-.
What are the key properties of trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane?
trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane has a molecular weight of 409.72 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane is sourced from PubChem (CID 134843674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).