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

C17H18F2N2O4 — CID 11314153

IUPACN-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[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]4COC[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C17H18F2N2O4/c1-8(22)20-4-10-5-21(17(23)25-10)9-2-13(18)16(14(19)3-9)15-11-6-24-7-12(11)15/h2-3,10-12,15H,4-7H2,1H3,(H,20,22)/t10-,11-,12+,15?/m0/s1
InChIKeyYJDBDSRKPHRDRN-NUKBIBLZSA-N
MW352.34 g/mol
LogP1.79
Rot. Bonds4

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

N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11314153) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[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-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11314153
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[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]4COC[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C17H18F2N2O4/c1-8(22)20-4-10-5-21(17(23)25-10)9-2-13(18)16(14(19)3-9)15-11-6-24-7-12(11)15/h2-3,10-12,15H,4-7H2,1H3,(H,20,22)/t10-,11-,12+,15?/m0/s1
InChIKeyYJDBDSRKPHRDRN-NUKBIBLZSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[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-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11314153) is N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[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-[(1R,5S)-3-oxabicyclo[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-[(1R,5S)-3-oxabicyclo[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]4COC[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YJDBDSRKPHRDRN-NUKBIBLZSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c1-8(22)20-4-10-5-21(17(23)25-10)9-2-13(18)16(14(19)3-9)15-11-6-24-7-12(11)15/h2-3,10-12,15H,4-7H2,1H3,(H,20,22)/t10-,11-,12+,15?/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 352.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11314153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).