5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C25H28N2O3S — CID 3811625

IUPAC5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCSC=Cc1ccccc1)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C25H28N2O3S/c28-24(14-18-31-17-13-20-7-3-1-4-8-20)26-15-11-22(12-16-26)27-19-23(30-25(27)29)21-9-5-2-6-10-21/h1-10,13,17,22-23H,11-12,14-16,18-19H2
InChIKeyGZLWCNATHFWGPL-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.97
Rot. Bonds7

About 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3811625) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3811625
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCSC=Cc1ccccc1)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C25H28N2O3S/c28-24(14-18-31-17-13-20-7-3-1-4-8-20)26-15-11-22(12-16-26)27-19-23(30-25(27)29)21-9-5-2-6-10-21/h1-10,13,17,22-23H,11-12,14-16,18-19H2
InChIKeyGZLWCNATHFWGPL-UHFFFAOYSA-N
XLogP4.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3576442
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23763355
ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
CID 3847843
5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3486030
5-phenyl-3-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23761134
3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 3820511
3-(2-phenylethenylsulfanyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 3689571
ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
CID 3806439
(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one
CID 154690553
5-(4-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
CID 82083955
3-[3-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3860324
(3aS,8bR)-1-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 23959923

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3811625) is 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(CCSC=Cc1ccccc1)N1CCC(N2CC(c3ccccc3)OC2=O)CC1.
What is the InChIKey of 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GZLWCNATHFWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c28-24(14-18-31-17-13-20-7-3-1-4-8-20)26-15-11-22(12-16-26)27-19-23(30-25(27)29)21-9-5-2-6-10-21/h1-10,13,17,22-23H,11-12,14-16,18-19H2.
What are the key properties of 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 436.58 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3811625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).