methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate

C25H35N3O5Si — CID 58775760

IUPACmethyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(NC(=O)CCc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cn3)no2)CCCC1
InChIInChI=1S/C25H35N3O5Si/c1-25(2,3)34(5,6)33-18-11-13-21(26-16-18)22-15-17(32-28-22)12-14-23(29)27-20-10-8-7-9-19(20)24(30)31-4/h11,13,15-16H,7-10,12,14H2,1-6H3,(H,27,29)
InChIKeyQOEWQRXRGPPXMZ-UHFFFAOYSA-N
MW485.66 g/mol
LogP5.17
Rot. Bonds8

About methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate

methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate (PubChem CID 58775760) has the molecular formula C25H35N3O5Si and a molecular weight of 485.66 g/mol. Its IUPAC name is methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate
PubChem CID58775760
Molecular FormulaC25H35N3O5Si
Molecular Weight485.66 g/mol
Exact Mass485.23
IUPAC Namemethyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(NC(=O)CCc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cn3)no2)CCCC1
InChIInChI=1S/C25H35N3O5Si/c1-25(2,3)34(5,6)33-18-11-13-21(26-16-18)22-15-17(32-28-22)12-14-23(29)27-20-10-8-7-9-19(20)24(30)31-4/h11,13,15-16H,7-10,12,14H2,1-6H3,(H,27,29)
InChIKeyQOEWQRXRGPPXMZ-UHFFFAOYSA-N
XLogP5.17
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.66
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate?
The IUPAC name of methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate (CID 58775760) is methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate?
The canonical SMILES for methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate is COC(=O)C1=C(NC(=O)CCc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cn3)no2)CCCC1.
What is the InChIKey of methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate?
The InChIKey is QOEWQRXRGPPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5Si/c1-25(2,3)34(5,6)33-18-11-13-21(26-16-18)22-15-17(32-28-22)12-14-23(29)27-20-10-8-7-9-19(20)24(30)31-4/h11,13,15-16H,7-10,12,14H2,1-6H3,(H,27,29).
What are the key properties of methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate?
methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate has a molecular weight of 485.66 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylate is sourced from PubChem (CID 58775760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).