[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone

C15H19Cl2N3O3Si — CID 86732548

IUPAC[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone
SMILESCC(C)(C)[Si](C)(C)OCc1nnc(C(=O)c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H19Cl2N3O3Si/c1-15(2,3)24(4,5)22-8-11-19-20-14(23-11)12(21)9-6-10(16)13(17)18-7-9/h6-7H,8H2,1-5H3
InChIKeyIPNACODBDXBMDI-UHFFFAOYSA-N
MW388.33 g/mol
LogP4.52
Rot. Bonds5

About [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone

[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone (PubChem CID 86732548) has the molecular formula C15H19Cl2N3O3Si and a molecular weight of 388.33 g/mol. Its IUPAC name is [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone
PubChem CID86732548
Molecular FormulaC15H19Cl2N3O3Si
Molecular Weight388.33 g/mol
Exact Mass387.06
IUPAC Name[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone
SMILESCC(C)(C)[Si](C)(C)OCc1nnc(C(=O)c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H19Cl2N3O3Si/c1-15(2,3)24(4,5)22-8-11-19-20-14(23-11)12(21)9-6-10(16)13(17)18-7-9/h6-7H,8H2,1-5H3
InChIKeyIPNACODBDXBMDI-UHFFFAOYSA-N
XLogP4.52
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-chloropyridine-3-carboxylate
CID 151760274
tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane
CID 90374051
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid
CID 141255252
(E)-4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-2-chlorophenyl]pent-3-en-2-one;(E)-4-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]pent-3-en-2-one
CID 159989517
4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-3-chloro-5-fluorobenzoic acid
CID 23117203
5,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723834
(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid
CID 90374214
(E)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]but-2-enoic acid;(E)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]prop-2-enoic acid
CID 162056940
2-[(2-methylpropan-2-yl)oxy]ethyl 5,6-dichloropyridine-3-carboxylate
CID 112686977
(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8873138
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614

Frequently Asked Questions

What is the IUPAC name of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone?
The IUPAC name of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone (CID 86732548) is [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone.
What is the SMILES notation for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone?
The canonical SMILES for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone is CC(C)(C)[Si](C)(C)OCc1nnc(C(=O)c2cnc(Cl)c(Cl)c2)o1.
What is the InChIKey of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone?
The InChIKey is IPNACODBDXBMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3Si/c1-15(2,3)24(4,5)22-8-11-19-20-14(23-11)12(21)9-6-10(16)13(17)18-7-9/h6-7H,8H2,1-5H3.
What are the key properties of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone?
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone has a molecular weight of 388.33 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone is sourced from PubChem (CID 86732548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).