N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H32FN3O4Si — CID 54073333

IUPACN-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CC(O[Si](C)(C)C(C)(C)C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H32FN3O4Si/c1-14(26)23-10-16-13-25(20(27)28-16)15-7-8-19(18(22)9-15)24-11-17(12-24)29-30(5,6)21(2,3)4/h7-9,16-17H,10-13H2,1-6H3,(H,23,26)/t16-/m0/s1
InChIKeyMHZOBDKSUPUOKL-INIZCTEOSA-N
MW437.59 g/mol
LogP3.50
Rot. Bonds6

About N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 54073333) has the molecular formula C21H32FN3O4Si and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID54073333
Molecular FormulaC21H32FN3O4Si
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC NameN-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CC(O[Si](C)(C)C(C)(C)C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H32FN3O4Si/c1-14(26)23-10-16-13-25(20(27)28-16)15-7-8-19(18(22)9-15)24-11-17(12-24)29-30(5,6)21(2,3)4/h7-9,16-17H,10-13H2,1-6H3,(H,23,26)/t16-/m0/s1
InChIKeyMHZOBDKSUPUOKL-INIZCTEOSA-N
XLogP3.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 54073333) is N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CC(O[Si](C)(C)C(C)(C)C)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is MHZOBDKSUPUOKL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32FN3O4Si/c1-14(26)23-10-16-13-25(20(27)28-16)15-7-8-19(18(22)9-15)24-11-17(12-24)29-30(5,6)21(2,3)4/h7-9,16-17H,10-13H2,1-6H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 437.59 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 54073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).