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

C19H21F2N3O5 — CID 11304392

IUPACN-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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(c2cc(F)c(C3[C@H]4CN(C(=O)CO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C19H21F2N3O5/c1-9(26)22-4-11-5-24(19(28)29-11)10-2-14(20)18(15(21)3-10)17-12-6-23(7-13(12)17)16(27)8-25/h2-3,11-13,17,25H,4-8H2,1H3,(H,22,26)/t11-,12-,13+,17?/m0/s1
InChIKeyYZCDYFYLKIZNFA-PRCBLGNRSA-N
MW409.39 g/mol
LogP0.59
Rot. Bonds5

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

N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11304392) has the molecular formula C19H21F2N3O5 and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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-[3,5-difluoro-4-[(1S,5R)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11304392
Molecular FormulaC19H21F2N3O5
Molecular Weight409.39 g/mol
Exact Mass409.14
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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(c2cc(F)c(C3[C@H]4CN(C(=O)CO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C19H21F2N3O5/c1-9(26)22-4-11-5-24(19(28)29-11)10-2-14(20)18(15(21)3-10)17-12-6-23(7-13(12)17)16(27)8-25/h2-3,11-13,17,25H,4-8H2,1H3,(H,22,26)/t11-,12-,13+,17?/m0/s1
InChIKeyYZCDYFYLKIZNFA-PRCBLGNRSA-N
XLogP0.59
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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-[3,5-difluoro-4-[(1S,5R)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11304392) is N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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-[3,5-difluoro-4-[(1S,5R)-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-[3,5-difluoro-4-[(1S,5R)-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(c2cc(F)c(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-[3,5-difluoro-4-[(1S,5R)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YZCDYFYLKIZNFA-PRCBLGNRSA-N. The full InChI is InChI=1S/C19H21F2N3O5/c1-9(26)22-4-11-5-24(19(28)29-11)10-2-14(20)18(15(21)3-10)17-12-6-23(7-13(12)17)16(27)8-25/h2-3,11-13,17,25H,4-8H2,1H3,(H,22,26)/t11-,12-,13+,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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 409.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-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 11304392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).