N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H19F2N3O4 — CID 15951373

IUPACN-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOC1CN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C16H19F2N3O4/c1-9(22)19-5-11-8-21(16(23)25-11)10-3-13(17)15(14(18)4-10)20-6-12(7-20)24-2/h3-4,11-12H,5-8H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyYGCLXTRHFRBOMF-NSHDSACASA-N
MW355.34 g/mol
LogP1.26
Rot. Bonds5

About N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15951373) has the molecular formula C16H19F2N3O4 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID15951373
Molecular FormulaC16H19F2N3O4
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOC1CN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C16H19F2N3O4/c1-9(22)19-5-11-8-21(16(23)25-11)10-3-13(17)15(14(18)4-10)20-6-12(7-20)24-2/h3-4,11-12H,5-8H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyYGCLXTRHFRBOMF-NSHDSACASA-N
XLogP1.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15951373) is N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COC1CN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YGCLXTRHFRBOMF-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F2N3O4/c1-9(22)19-5-11-8-21(16(23)25-11)10-3-13(17)15(14(18)4-10)20-6-12(7-20)24-2/h3-4,11-12H,5-8H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 355.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15951373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).