[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane

C20H25NOSi — CID 13439172

IUPAC[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane
SMILESCC1(C)COC(c2c(-c3ccccc3)cccc2[Si](C)(C)C)=N1
InChIInChI=1S/C20H25NOSi/c1-20(2)14-22-19(21-20)18-16(15-10-7-6-8-11-15)12-9-13-17(18)23(3,4)5/h6-13H,14H2,1-5H3
InChIKeyNPYMEAZUSAGVFS-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.45
Rot. Bonds3

About [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane (PubChem CID 13439172) has the molecular formula C20H25NOSi and a molecular weight of 323.51 g/mol. Its IUPAC name is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane
PubChem CID13439172
Molecular FormulaC20H25NOSi
Molecular Weight323.51 g/mol
Exact Mass323.17
IUPAC Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane
SMILESCC1(C)COC(c2c(-c3ccccc3)cccc2[Si](C)(C)C)=N1
InChIInChI=1S/C20H25NOSi/c1-20(2)14-22-19(21-20)18-16(15-10-7-6-8-11-15)12-9-13-17(18)23(3,4)5/h6-13H,14H2,1-5H3
InChIKeyNPYMEAZUSAGVFS-UHFFFAOYSA-N
XLogP4.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
4,4-Dimethyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 10487889
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
5-(Fluoromethyl)-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 178252037
4-Isopropyl-2-tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-4,5-dihydro-1,3-oxazole
CID 7314597
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-naphthalenyl)-
CID 4299365
2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11214314
2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 11414369
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
CID 134898910

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane?
The IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane (CID 13439172) is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane.
What is the SMILES notation for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane?
The canonical SMILES for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane is CC1(C)COC(c2c(-c3ccccc3)cccc2[Si](C)(C)C)=N1.
What is the InChIKey of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane?
The InChIKey is NPYMEAZUSAGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOSi/c1-20(2)14-22-19(21-20)18-16(15-10-7-6-8-11-15)12-9-13-17(18)23(3,4)5/h6-13H,14H2,1-5H3.
What are the key properties of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane?
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane has a molecular weight of 323.51 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylphenyl]-trimethylsilane is sourced from PubChem (CID 13439172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).