2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane

C25H20Cl2F3NOSi — CID 67434381

IUPAC2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C25H20Cl2F3NOSi/c1-33(2,3)11-10-16-8-9-22(21-7-5-4-6-20(16)21)23-15-24(32-31-23,25(28,29)30)17-12-18(26)14-19(27)13-17/h4-9,12-14H,15H2,1-3H3
InChIKeyAFLNOAYPSCRLTB-UHFFFAOYSA-N
MW506.43 g/mol
LogP7.96
Rot. Bonds2

About 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane

2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane (PubChem CID 67434381) has the molecular formula C25H20Cl2F3NOSi and a molecular weight of 506.43 g/mol. Its IUPAC name is 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane
PubChem CID67434381
Molecular FormulaC25H20Cl2F3NOSi
Molecular Weight506.43 g/mol
Exact Mass505.06
IUPAC Name2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C25H20Cl2F3NOSi/c1-33(2,3)11-10-16-8-9-22(21-7-5-4-6-20(16)21)23-15-24(32-31-23,25(28,29)30)17-12-18(26)14-19(27)13-17/h4-9,12-14H,15H2,1-3H3
InChIKeyAFLNOAYPSCRLTB-UHFFFAOYSA-N
XLogP7.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.43
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane (CID 67434381) is 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane?
The InChIKey is AFLNOAYPSCRLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F3NOSi/c1-33(2,3)11-10-16-8-9-22(21-7-5-4-6-20(16)21)23-15-24(32-31-23,25(28,29)30)17-12-18(26)14-19(27)13-17/h4-9,12-14H,15H2,1-3H3.
What are the key properties of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane?
2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane has a molecular weight of 506.43 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 67434381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).