trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane

C14H20N2O4Si — CID 16767601

IUPACtrimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
SMILESCOc1cc(-c2nnc([Si](C)(C)C)o2)cc(OC)c1OC
InChIInChI=1S/C14H20N2O4Si/c1-17-10-7-9(8-11(18-2)12(10)19-3)13-15-16-14(20-13)21(4,5)6/h7-8H,1-6H3
InChIKeyVNFGRNKORFASAE-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.31
Rot. Bonds5

About trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane

trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane (PubChem CID 16767601) has the molecular formula C14H20N2O4Si and a molecular weight of 308.41 g/mol. Its IUPAC name is trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
PubChem CID16767601
Molecular FormulaC14H20N2O4Si
Molecular Weight308.41 g/mol
Exact Mass308.12
IUPAC Nametrimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
SMILESCOc1cc(-c2nnc([Si](C)(C)C)o2)cc(OC)c1OC
InChIInChI=1S/C14H20N2O4Si/c1-17-10-7-9(8-11(18-2)12(10)19-3)13-15-16-14(20-13)21(4,5)6/h7-8H,1-6H3
InChIKeyVNFGRNKORFASAE-UHFFFAOYSA-N
XLogP2.31
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-prop-2-enylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2274823
2-[(4-chlorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7458545
3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
2-[(2,5-dichlorophenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7431819
4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
CID 9031386
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031343
2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7857401
2-[(4-phenylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 60519118
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 30360225

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane?
The IUPAC name of trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane (CID 16767601) is trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane.
What is the SMILES notation for trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane?
The canonical SMILES for trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane is COc1cc(-c2nnc([Si](C)(C)C)o2)cc(OC)c1OC.
What is the InChIKey of trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane?
The InChIKey is VNFGRNKORFASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4Si/c1-17-10-7-9(8-11(18-2)12(10)19-3)13-15-16-14(20-13)21(4,5)6/h7-8H,1-6H3.
What are the key properties of trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane?
trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane has a molecular weight of 308.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane is sourced from PubChem (CID 16767601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).