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

C22H34FN3O4Si — CID 70197355

IUPACN-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CC(C)(O[Si](C)(C)C(C)(C)C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H34FN3O4Si/c1-15(27)24-11-17-12-26(20(28)29-17)16-8-9-19(18(23)10-16)25-13-22(5,14-25)30-31(6,7)21(2,3)4/h8-10,17H,11-14H2,1-7H3,(H,24,27)
InChIKeyOUXTXVBVAITFOL-UHFFFAOYSA-N
MW451.62 g/mol
LogP3.89
Rot. Bonds6

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

N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70197355) has the molecular formula C22H34FN3O4Si and a molecular weight of 451.62 g/mol. Its IUPAC name is N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70197355
Molecular FormulaC22H34FN3O4Si
Molecular Weight451.62 g/mol
Exact Mass451.23
IUPAC NameN-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CC(C)(O[Si](C)(C)C(C)(C)C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H34FN3O4Si/c1-15(27)24-11-17-12-26(20(28)29-17)16-8-9-19(18(23)10-16)25-13-22(5,14-25)30-31(6,7)21(2,3)4/h8-10,17H,11-14H2,1-7H3,(H,24,27)
InChIKeyOUXTXVBVAITFOL-UHFFFAOYSA-N
XLogP3.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.89
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-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70197355) is N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CC(C)(O[Si](C)(C)C(C)(C)C)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OUXTXVBVAITFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O4Si/c1-15(27)24-11-17-12-26(20(28)29-17)16-8-9-19(18(23)10-16)25-13-22(5,14-25)30-31(6,7)21(2,3)4/h8-10,17H,11-14H2,1-7H3,(H,24,27).
What are the key properties of N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 451.62 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70197355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).