tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate

C21H39N3O4Si — CID 140804576

IUPACtert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1nnc(C2CCCC(NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C21H39N3O4Si/c1-14(28-29(8,9)21(5,6)7)17-23-24-18(26-17)15-11-10-12-16(13-15)22-19(25)27-20(2,3)4/h14-16H,10-13H2,1-9H3,(H,22,25)/t14-,15?,16?/m1/s1
InChIKeyOXXKPFFLKLRMER-QQFBHYJXSA-N
MW425.65 g/mol
LogP5.70
Rot. Bonds5

About tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate

tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate (PubChem CID 140804576) has the molecular formula C21H39N3O4Si and a molecular weight of 425.65 g/mol. Its IUPAC name is tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
PubChem CID140804576
Molecular FormulaC21H39N3O4Si
Molecular Weight425.65 g/mol
Exact Mass425.27
IUPAC Nametert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1nnc(C2CCCC(NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C21H39N3O4Si/c1-14(28-29(8,9)21(5,6)7)17-23-24-18(26-17)15-11-10-12-16(13-15)22-19(25)27-20(2,3)4/h14-16H,10-13H2,1-9H3,(H,22,25)/t14-,15?,16?/m1/s1
InChIKeyOXXKPFFLKLRMER-QQFBHYJXSA-N
XLogP5.70
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
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tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
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tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
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tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
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tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
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tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate (CID 140804576) is tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate is C[C@@H](O[Si](C)(C)C(C)(C)C)c1nnc(C2CCCC(NC(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is OXXKPFFLKLRMER-QQFBHYJXSA-N. The full InChI is InChI=1S/C21H39N3O4Si/c1-14(28-29(8,9)21(5,6)7)17-23-24-18(26-17)15-11-10-12-16(13-15)22-19(25)27-20(2,3)4/h14-16H,10-13H2,1-9H3,(H,22,25)/t14-,15?,16?/m1/s1.
What are the key properties of tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 425.65 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 140804576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).