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

C20H21F4N3O5 — CID 11351612

IUPACN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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](O)C(F)(F)F)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21F4N3O5/c1-9(28)25-5-11-6-27(19(31)32-11)10-2-3-12(15(21)4-10)16-13-7-26(8-14(13)16)18(30)17(29)20(22,23)24/h2-4,11,13-14,16-17,29H,5-8H2,1H3,(H,25,28)/t11-,13-,14+,16?,17+/m0/s1
InChIKeyYPDAXKQHMJYCSY-WCYNWBQCSA-N
MW459.40 g/mol
LogP1.38
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11351612) has the molecular formula C20H21F4N3O5 and a molecular weight of 459.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11351612
Molecular FormulaC20H21F4N3O5
Molecular Weight459.40 g/mol
Exact Mass459.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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](O)C(F)(F)F)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21F4N3O5/c1-9(28)25-5-11-6-27(19(31)32-11)10-2-3-12(15(21)4-10)16-13-7-26(8-14(13)16)18(30)17(29)20(22,23)24/h2-4,11,13-14,16-17,29H,5-8H2,1H3,(H,25,28)/t11-,13-,14+,16?,17+/m0/s1
InChIKeyYPDAXKQHMJYCSY-WCYNWBQCSA-N
XLogP1.38
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11351612) is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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](O)C(F)(F)F)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YPDAXKQHMJYCSY-WCYNWBQCSA-N. The full InChI is InChI=1S/C20H21F4N3O5/c1-9(28)25-5-11-6-27(19(31)32-11)10-2-3-12(15(21)4-10)16-13-7-26(8-14(13)16)18(30)17(29)20(22,23)24/h2-4,11,13-14,16-17,29H,5-8H2,1H3,(H,25,28)/t11-,13-,14+,16?,17+/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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-[(1S,5R)-3-[(2R)-3,3,3-trifluoro-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 459.40 g/mol, XLogP of 1.38, 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-[(2R)-3,3,3-trifluoro-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 11351612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).