[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane

C18H19F2NOSi — CID 15008003

IUPAC[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C18H19F2NOSi/c1-23(2,3)13-9-7-12(8-10-13)16-11-22-18(21-16)17-14(19)5-4-6-15(17)20/h4-10,16H,11H2,1-3H3
InChIKeyHTBZEOIWLXKLGO-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.03
Rot. Bonds3

About [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane

[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane (PubChem CID 15008003) has the molecular formula C18H19F2NOSi and a molecular weight of 331.44 g/mol. Its IUPAC name is [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane
PubChem CID15008003
Molecular FormulaC18H19F2NOSi
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C18H19F2NOSi/c1-23(2,3)13-9-7-12(8-10-13)16-11-22-18(21-16)17-14(19)5-4-6-15(17)20/h4-10,16H,11H2,1-3H3
InChIKeyHTBZEOIWLXKLGO-UHFFFAOYSA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane (CID 15008003) is [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane?
The InChIKey is HTBZEOIWLXKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOSi/c1-23(2,3)13-9-7-12(8-10-13)16-11-22-18(21-16)17-14(19)5-4-6-15(17)20/h4-10,16H,11H2,1-3H3.
What are the key properties of [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane?
[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane has a molecular weight of 331.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 15008003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).