N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H24FN5O5 — CID 11626921

IUPACN-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4ccc5nonc5c4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24FN5O5/c1-14(30)25-12-18-13-29(23(31)33-18)16-3-5-22(19(24)10-16)32-17-6-8-28(9-7-17)15-2-4-20-21(11-15)27-34-26-20/h2-5,10-11,17-18H,6-9,12-13H2,1H3,(H,25,30)/t18-/m0/s1
InChIKeyIFGLFIQJAWKYPI-SFHVURJKSA-N
MW469.47 g/mol
LogP2.87
Rot. Bonds6

About N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11626921) has the molecular formula C23H24FN5O5 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11626921
Molecular FormulaC23H24FN5O5
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC NameN-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4ccc5nonc5c4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24FN5O5/c1-14(30)25-12-18-13-29(23(31)33-18)16-3-5-22(19(24)10-16)32-17-6-8-28(9-7-17)15-2-4-20-21(11-15)27-34-26-20/h2-5,10-11,17-18H,6-9,12-13H2,1H3,(H,25,30)/t18-/m0/s1
InChIKeyIFGLFIQJAWKYPI-SFHVURJKSA-N
XLogP2.87
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12051219
N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10299464
8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 25027172
7-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 76547992
8-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 87510525
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide
CID 143013583
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58003518

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11626921) is N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4ccc5nonc5c4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IFGLFIQJAWKYPI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FN5O5/c1-14(30)25-12-18-13-29(23(31)33-18)16-3-5-22(19(24)10-16)32-17-6-8-28(9-7-17)15-2-4-20-21(11-15)27-34-26-20/h2-5,10-11,17-18H,6-9,12-13H2,1H3,(H,25,30)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 469.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11626921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).