tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane

C15H21Cl2N3O2Si — CID 90374051

IUPACtert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1nnc(-c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H21Cl2N3O2Si/c1-15(2,3)23(4,5)21-7-6-12-19-20-14(22-12)10-8-11(16)13(17)18-9-10/h8-9H,6-7H2,1-5H3
InChIKeyUPDWIJHMEYRFAJ-UHFFFAOYSA-N
MW374.34 g/mol
LogP5.00
Rot. Bonds5

About tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane (PubChem CID 90374051) has the molecular formula C15H21Cl2N3O2Si and a molecular weight of 374.34 g/mol. Its IUPAC name is tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane
PubChem CID90374051
Molecular FormulaC15H21Cl2N3O2Si
Molecular Weight374.34 g/mol
Exact Mass373.08
IUPAC Nametert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1nnc(-c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H21Cl2N3O2Si/c1-15(2,3)23(4,5)21-7-6-12-19-20-14(22-12)10-8-11(16)13(17)18-9-10/h8-9H,6-7H2,1-5H3
InChIKeyUPDWIJHMEYRFAJ-UHFFFAOYSA-N
XLogP5.00
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane (CID 90374051) is tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1nnc(-c2cnc(Cl)c(Cl)c2)o1.
What is the InChIKey of tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane?
The InChIKey is UPDWIJHMEYRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2Si/c1-15(2,3)23(4,5)21-7-6-12-19-20-14(22-12)10-8-11(16)13(17)18-9-10/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane has a molecular weight of 374.34 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 90374051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).