(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one

C20H22FNO3 — CID 141322873

IUPAC(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1CCCC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c21-17-11-9-16(10-12-17)19(23)8-4-5-13-22-18(14-25-20(22)24)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,23H,4-5,8,13-14H2/t18-,19+/m1/s1
InChIKeyXLGLYKTWCUISDB-MOPGFXCFSA-N
MW343.40 g/mol
LogP4.22
Rot. Bonds7

About (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 141322873) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID141322873
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1CCCC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c21-17-11-9-16(10-12-17)19(23)8-4-5-13-22-18(14-25-20(22)24)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,23H,4-5,8,13-14H2/t18-,19+/m1/s1
InChIKeyXLGLYKTWCUISDB-MOPGFXCFSA-N
XLogP4.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
1-(4-Fluorophenyl)-2-morpholino-2-phenylethanol hydrochloride
CID 6603251
(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 29980403
(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 71458445
(4S,5R)-3-ethenyl-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10999952
(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one
CID 16744791
tert-butyl (S)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carboxylate
CID 24867804
methyl (2S,3S)-2-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 11310975
(2r,3r,4r)-N-benzyloxylcarbonyl-2-benzyloxymethyl-4-fluoro-3-hydroxyl-pyrrolidine
CID 129713816
(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 134951393
benzyl (2R,3S)-2-(4-fluorophenyl)-4-methylene-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 145453123
(4R)-4-benzyl-3-[(2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 176430323

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one (CID 141322873) is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1CCCC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XLGLYKTWCUISDB-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-11-9-16(10-12-17)19(23)8-4-5-13-22-18(14-25-20(22)24)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,23H,4-5,8,13-14H2/t18-,19+/m1/s1.
What are the key properties of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 343.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141322873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).