(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride

C11H20ClN3O4Si — CID 153434851

IUPAC(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
SMILESCC(C)(C)[Si](C)(C)OCCOc1nonc1/C(Cl)=N/O
InChIInChI=1S/C11H20ClN3O4Si/c1-11(2,3)20(4,5)18-7-6-17-10-8(9(12)13-16)14-19-15-10/h16H,6-7H2,1-5H3/b13-9-
InChIKeyRWNWHCNTMMZVAO-LCYFTJDESA-N
MW321.84 g/mol
LogP2.84
Rot. Bonds6

About (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride

(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride (PubChem CID 153434851) has the molecular formula C11H20ClN3O4Si and a molecular weight of 321.84 g/mol. Its IUPAC name is (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
PubChem CID153434851
Molecular FormulaC11H20ClN3O4Si
Molecular Weight321.84 g/mol
Exact Mass321.09
IUPAC Name(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
SMILESCC(C)(C)[Si](C)(C)OCCOc1nonc1/C(Cl)=N/O
InChIInChI=1S/C11H20ClN3O4Si/c1-11(2,3)20(4,5)18-7-6-17-10-8(9(12)13-16)14-19-15-10/h16H,6-7H2,1-5H3/b13-9-
InChIKeyRWNWHCNTMMZVAO-LCYFTJDESA-N
XLogP2.84
TPSA89.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide
CID 153434877
N-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]hydroxylamine
CID 171665671
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride?
The IUPAC name of (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride (CID 153434851) is (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride.
What is the SMILES notation for (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride?
The canonical SMILES for (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride is CC(C)(C)[Si](C)(C)OCCOc1nonc1/C(Cl)=N/O.
What is the InChIKey of (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride?
The InChIKey is RWNWHCNTMMZVAO-LCYFTJDESA-N. The full InChI is InChI=1S/C11H20ClN3O4Si/c1-11(2,3)20(4,5)18-7-6-17-10-8(9(12)13-16)14-19-15-10/h16H,6-7H2,1-5H3/b13-9-.
What are the key properties of (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride?
(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride has a molecular weight of 321.84 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride is sourced from PubChem (CID 153434851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).