2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate

C15H28N4O5Si — CID 90984390

IUPAC2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)OCC[Si](C)(C)C)c1ncon1
InChIInChI=1S/C15H28N4O5Si/c1-15(2,3)24-13(20)16-9-11(12-17-10-23-19-12)18-14(21)22-7-8-25(4,5)6/h10-11H,7-9H2,1-6H3,(H,16,20)(H,18,21)/t11-/m0/s1
InChIKeyCFUUXZIFURGIBV-NSHDSACASA-N
MW372.50 g/mol
LogP2.70
Rot. Bonds7

About 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate

2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate (PubChem CID 90984390) has the molecular formula C15H28N4O5Si and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate
PubChem CID90984390
Molecular FormulaC15H28N4O5Si
Molecular Weight372.50 g/mol
Exact Mass372.18
IUPAC Name2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)OCC[Si](C)(C)C)c1ncon1
InChIInChI=1S/C15H28N4O5Si/c1-15(2,3)24-13(20)16-9-11(12-17-10-23-19-12)18-14(21)22-7-8-25(4,5)6/h10-11H,7-9H2,1-6H3,(H,16,20)(H,18,21)/t11-/m0/s1
InChIKeyCFUUXZIFURGIBV-NSHDSACASA-N
XLogP2.70
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
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 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate (CID 90984390) is 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC[Si](C)(C)C)c1ncon1.
What is the InChIKey of 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The InChIKey is CFUUXZIFURGIBV-NSHDSACASA-N. The full InChI is InChI=1S/C15H28N4O5Si/c1-15(2,3)24-13(20)16-9-11(12-17-10-23-19-12)18-14(21)22-7-8-25(4,5)6/h10-11H,7-9H2,1-6H3,(H,16,20)(H,18,21)/t11-/m0/s1.
What are the key properties of 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate?
2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate has a molecular weight of 372.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 90984390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).