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

C19H22FN3O5 — CID 11349846

IUPACN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-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)CO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22FN3O5/c1-10(25)21-5-12-6-23(19(27)28-12)11-2-3-13(16(20)4-11)18-14-7-22(8-15(14)18)17(26)9-24/h2-4,12,14-15,18,24H,5-9H2,1H3,(H,21,25)/t12-,14-,15+,18?/m0/s1
InChIKeyCRJWLNAMFPOQJH-YBVBUHPZSA-N
MW391.40 g/mol
LogP0.45
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11349846) has the molecular formula C19H22FN3O5 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-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-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11349846
Molecular FormulaC19H22FN3O5
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-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)CO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22FN3O5/c1-10(25)21-5-12-6-23(19(27)28-12)11-2-3-13(16(20)4-11)18-14-7-22(8-15(14)18)17(26)9-24/h2-4,12,14-15,18,24H,5-9H2,1H3,(H,21,25)/t12-,14-,15+,18?/m0/s1
InChIKeyCRJWLNAMFPOQJH-YBVBUHPZSA-N
XLogP0.45
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-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-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11349846) is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-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-[(1R,5S)-3-(2-hydroxyacetyl)-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-[(1R,5S)-3-(2-hydroxyacetyl)-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)CO)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CRJWLNAMFPOQJH-YBVBUHPZSA-N. The full InChI is InChI=1S/C19H22FN3O5/c1-10(25)21-5-12-6-23(19(27)28-12)11-2-3-13(16(20)4-11)18-14-7-22(8-15(14)18)17(26)9-24/h2-4,12,14-15,18,24H,5-9H2,1H3,(H,21,25)/t12-,14-,15+,18?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 391.40 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11349846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).