tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane

C28H30ClF4N5O2Si — CID 154695855

IUPACtert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(n2ncc(-c3onc(-c4c(F)cccc4Cl)c3-c3cnccn3)c2C(F)(F)F)C1
InChIInChI=1S/C28H30ClF4N5O2Si/c1-26(2,3)41(5,6)40-27(4)12-16(13-27)38-25(28(31,32)33)17(14-36-38)24-22(20-15-34-10-11-35-20)23(37-39-24)21-18(29)8-7-9-19(21)30/h7-11,14-16H,12-13H2,1-6H3
InChIKeyMMYJPPLGHABRJT-UHFFFAOYSA-N
MW608.11 g/mol
LogP8.59
Rot. Bonds6

About tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane

tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane (PubChem CID 154695855) has the molecular formula C28H30ClF4N5O2Si and a molecular weight of 608.11 g/mol. Its IUPAC name is tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane
PubChem CID154695855
Molecular FormulaC28H30ClF4N5O2Si
Molecular Weight608.11 g/mol
Exact Mass607.18
IUPAC Nametert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(n2ncc(-c3onc(-c4c(F)cccc4Cl)c3-c3cnccn3)c2C(F)(F)F)C1
InChIInChI=1S/C28H30ClF4N5O2Si/c1-26(2,3)41(5,6)40-27(4)12-16(13-27)38-25(28(31,32)33)17(14-36-38)24-22(20-15-34-10-11-35-20)23(37-39-24)21-18(29)8-7-9-19(21)30/h7-11,14-16H,12-13H2,1-6H3
InChIKeyMMYJPPLGHABRJT-UHFFFAOYSA-N
XLogP8.59
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.11
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane (CID 154695855) is tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane is CC1(O[Si](C)(C)C(C)(C)C)CC(n2ncc(-c3onc(-c4c(F)cccc4Cl)c3-c3cnccn3)c2C(F)(F)F)C1.
What is the InChIKey of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
The InChIKey is MMYJPPLGHABRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF4N5O2Si/c1-26(2,3)41(5,6)40-27(4)12-16(13-27)38-25(28(31,32)33)17(14-36-38)24-22(20-15-34-10-11-35-20)23(37-39-24)21-18(29)8-7-9-19(21)30/h7-11,14-16H,12-13H2,1-6H3.
What are the key properties of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane has a molecular weight of 608.11 g/mol, XLogP of 8.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrazin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane is sourced from PubChem (CID 154695855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).