N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H20FN3O4 — CID 11382863

IUPACN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C=O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H20FN3O4/c1-10(24)20-5-12-6-22(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-21(9-23)8-15(14)17/h2-4,9,12,14-15,17H,5-8H2,1H3,(H,20,24)/t12-,14-,15+,17?/m0/s1
InChIKeyYZUFEQFQYLHTJK-NTIGPLPUSA-N
MW361.37 g/mol
LogP1.09
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11382863) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11382863
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C=O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H20FN3O4/c1-10(24)20-5-12-6-22(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-21(9-23)8-15(14)17/h2-4,9,12,14-15,17H,5-8H2,1H3,(H,20,24)/t12-,14-,15+,17?/m0/s1
InChIKeyYZUFEQFQYLHTJK-NTIGPLPUSA-N
XLogP1.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11382863) is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C=O)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YZUFEQFQYLHTJK-NTIGPLPUSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-10(24)20-5-12-6-22(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-21(9-23)8-15(14)17/h2-4,9,12,14-15,17H,5-8H2,1H3,(H,20,24)/t12-,14-,15+,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-formyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11382863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).