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

C21H26FN3O5 — CID 11396009

IUPACN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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)(C)O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C21H26FN3O5/c1-11(26)23-7-13-8-25(20(28)30-13)12-4-5-14(17(22)6-12)18-15-9-24(10-16(15)18)19(27)21(2,3)29/h4-6,13,15-16,18,29H,7-10H2,1-3H3,(H,23,26)/t13-,15-,16+,18?/m0/s1
InChIKeySGMOKRWGSCHGPG-MTKWDUKCSA-N
MW419.45 g/mol
LogP1.23
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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-(2-hydroxy-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11396009) has the molecular formula C21H26FN3O5 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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-(2-hydroxy-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11396009
Molecular FormulaC21H26FN3O5
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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)(C)O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C21H26FN3O5/c1-11(26)23-7-13-8-25(20(28)30-13)12-4-5-14(17(22)6-12)18-15-9-24(10-16(15)18)19(27)21(2,3)29/h4-6,13,15-16,18,29H,7-10H2,1-3H3,(H,23,26)/t13-,15-,16+,18?/m0/s1
InChIKeySGMOKRWGSCHGPG-MTKWDUKCSA-N
XLogP1.23
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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-(2-hydroxy-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11396009) is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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-(2-hydroxy-2-methylpropanoyl)-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-(2-hydroxy-2-methylpropanoyl)-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)(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-(2-hydroxy-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SGMOKRWGSCHGPG-MTKWDUKCSA-N. The full InChI is InChI=1S/C21H26FN3O5/c1-11(26)23-7-13-8-25(20(28)30-13)12-4-5-14(17(22)6-12)18-15-9-24(10-16(15)18)19(27)21(2,3)29/h4-6,13,15-16,18,29H,7-10H2,1-3H3,(H,23,26)/t13-,15-,16+,18?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-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-(2-hydroxy-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 1.23, 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-[(1S,5R)-3-(2-hydroxy-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11396009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).