4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one

C20H21NO3S — CID 18790149

IUPAC4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCSc1ccccc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C20H21NO3S/c22-19(12-7-13-25-18-10-5-2-6-11-18)21-17(15-24-20(21)23)14-16-8-3-1-4-9-16/h1-6,8-11,17H,7,12-15H2
InChIKeyFIYANSDBIXDNIR-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.15
Rot. Bonds7

About 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one

4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 18790149) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID18790149
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCSc1ccccc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C20H21NO3S/c22-19(12-7-13-25-18-10-5-2-6-11-18)21-17(15-24-20(21)23)14-16-8-3-1-4-9-16/h1-6,8-11,17H,7,12-15H2
InChIKeyFIYANSDBIXDNIR-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one (CID 18790149) is 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one is O=C(CCCSc1ccccc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is FIYANSDBIXDNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c22-19(12-7-13-25-18-10-5-2-6-11-18)21-17(15-24-20(21)23)14-16-8-3-1-4-9-16/h1-6,8-11,17H,7,12-15H2.
What are the key properties of 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 355.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(4-phenylsulfanylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18790149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).