N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide

C17H20FNO4 — CID 59882691

IUPACN-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1
InChIInChI=1S/C17H20FNO4/c1-13(20)19(21)11-3-2-4-16-9-10-17(23-16)12-22-15-7-5-14(18)6-8-15/h5-8,16-17,21H,3,9-12H2,1H3/t16-,17+/m1/s1
InChIKeyJUQOHKVGMIXEPU-SJORKVTESA-N
MW321.35 g/mol
LogP2.38
Rot. Bonds5

About N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide

N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide (PubChem CID 59882691) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide
PubChem CID59882691
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC NameN-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1
InChIInChI=1S/C17H20FNO4/c1-13(20)19(21)11-3-2-4-16-9-10-17(23-16)12-22-15-7-5-14(18)6-8-15/h5-8,16-17,21H,3,9-12H2,1H3/t16-,17+/m1/s1
InChIKeyJUQOHKVGMIXEPU-SJORKVTESA-N
XLogP2.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2S,6S)-6-[(4-fluorophenoxy)methyl]oxan-2-yl]but-3-yn-1-ol
CID 15471017
4-[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl oxane-2-carboxylate
CID 70125665
[4-[(2S,6S)-6-[(4-fluorophenoxy)methyl]oxan-2-yl]but-3-ynyl-phenoxycarbonylamino] phenyl carbonate
CID 20588443
1-[4-[(2R,3S,4R,5R)-5-[(4-fluorophenoxy)methyl]-3,4-dihydroxyoxolan-2-yl]but-3-ynyl]-1-hydroxyurea
CID 102211135
4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-2-yn-1-ol
CID 70006099
4-[(2R,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-2-yn-1-ol
CID 70006094
2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
CID 20590710
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62454144
N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
CID 173435568
S-[(3R,5S)-5-[(4-fluorophenoxy)methyl]oxolan-3-yl] ethanethioate
CID 57173453
N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
CID 13261947
1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
CID 66362964

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide?
The IUPAC name of N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide (CID 59882691) is N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide?
The canonical SMILES for N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide is CC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1.
What is the InChIKey of N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide?
The InChIKey is JUQOHKVGMIXEPU-SJORKVTESA-N. The full InChI is InChI=1S/C17H20FNO4/c1-13(20)19(21)11-3-2-4-16-9-10-17(23-16)12-22-15-7-5-14(18)6-8-15/h5-8,16-17,21H,3,9-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide?
N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide has a molecular weight of 321.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-N-hydroxyacetamide is sourced from PubChem (CID 59882691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).