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

C20H24FN3O5 — CID 11200560

IUPACN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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@H](C)O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN3O5/c1-10(25)19(27)23-8-15-16(9-23)18(15)14-4-3-12(5-17(14)21)24-7-13(29-20(24)28)6-22-11(2)26/h3-5,10,13,15-16,18,25H,6-9H2,1-2H3,(H,22,26)/t10-,13-,15-,16+,18?/m0/s1
InChIKeyNUNCQGHZYRCQTN-CRZQWRGYSA-N
MW405.43 g/mol
LogP0.84
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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-[(2S)-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11200560) has the molecular formula C20H24FN3O5 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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-[(2S)-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11200560
Molecular FormulaC20H24FN3O5
Molecular Weight405.43 g/mol
Exact Mass405.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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@H](C)O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN3O5/c1-10(25)19(27)23-8-15-16(9-23)18(15)14-4-3-12(5-17(14)21)24-7-13(29-20(24)28)6-22-11(2)26/h3-5,10,13,15-16,18,25H,6-9H2,1-2H3,(H,22,26)/t10-,13-,15-,16+,18?/m0/s1
InChIKeyNUNCQGHZYRCQTN-CRZQWRGYSA-N
XLogP0.84
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 50.84
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-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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-[(2S)-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11200560) is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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-[(2S)-2-hydroxypropanoyl]-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-[(2S)-2-hydroxypropanoyl]-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@H](C)O)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NUNCQGHZYRCQTN-CRZQWRGYSA-N. The full InChI is InChI=1S/C20H24FN3O5/c1-10(25)19(27)23-8-15-16(9-23)18(15)14-4-3-12(5-17(14)21)24-7-13(29-20(24)28)6-22-11(2)26/h3-5,10,13,15-16,18,25H,6-9H2,1-2H3,(H,22,26)/t10-,13-,15-,16+,18?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-[(2S)-2-hydroxypropanoyl]-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-[(2S)-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 0.84, 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-[(2S)-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11200560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).