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

C18H19FN4O3 — CID 11428304

IUPACN-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C#N)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H19FN4O3/c1-10(24)21-5-12-6-23(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-22(9-20)8-15(14)17/h2-4,12,14-15,17H,5-8H2,1H3,(H,21,24)/t12-,14-,15+,17?/m0/s1
InChIKeyGOSCHYJLCJHFGV-NTIGPLPUSA-N
MW358.37 g/mol
LogP1.41
Rot. Bonds4

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

N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11428304) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11428304
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C#N)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H19FN4O3/c1-10(24)21-5-12-6-23(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-22(9-20)8-15(14)17/h2-4,12,14-15,17H,5-8H2,1H3,(H,21,24)/t12-,14-,15+,17?/m0/s1
InChIKeyGOSCHYJLCJHFGV-NTIGPLPUSA-N
XLogP1.41
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11428304) is N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C#N)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GOSCHYJLCJHFGV-NTIGPLPUSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10(24)21-5-12-6-23(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-22(9-20)8-15(14)17/h2-4,12,14-15,17H,5-8H2,1H3,(H,21,24)/t12-,14-,15+,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 358.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(1S,5R)-3-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11428304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).