4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide

C12H23N3O5Si — CID 153434877

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide
SMILESCONC(=O)c1nonc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23N3O5Si/c1-12(2,3)21(5,6)19-8-7-18-11-9(13-20-15-11)10(16)14-17-4/h7-8H2,1-6H3,(H,14,16)
InChIKeyCUVALTDIXXCINN-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.76
Rot. Bonds7

About 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide

4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide (PubChem CID 153434877) has the molecular formula C12H23N3O5Si and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide
PubChem CID153434877
Molecular FormulaC12H23N3O5Si
Molecular Weight317.42 g/mol
Exact Mass317.14
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide
SMILESCONC(=O)c1nonc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23N3O5Si/c1-12(2,3)21(5,6)19-8-7-18-11-9(13-20-15-11)10(16)14-17-4/h7-8H2,1-6H3,(H,14,16)
InChIKeyCUVALTDIXXCINN-UHFFFAOYSA-N
XLogP1.76
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.76
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
CID 153434851
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
CID 59364516
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
CID 131748526
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
CID 166457077
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloroacetamide
CID 15287415
dimethyl 2-[(Z)-3-acetyl-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-yl]propanedioate
CID 24938357

Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide (CID 153434877) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide is CONC(=O)c1nonc1OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CUVALTDIXXCINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5Si/c1-12(2,3)21(5,6)19-8-7-18-11-9(13-20-15-11)10(16)14-17-4/h7-8H2,1-6H3,(H,14,16).
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide?
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-methoxy-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 153434877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).