3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one

C14H17NO3S — CID 102035679

IUPAC3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCc1ccccc1
InChIInChI=1S/C14H17NO3S/c1-11(19-10-12-5-3-2-4-6-12)9-13(16)15-7-8-18-14(15)17/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKeyRANOCIDNKMDYTE-LLVKDONJSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds5

About 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 102035679) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID102035679
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCc1ccccc1
InChIInChI=1S/C14H17NO3S/c1-11(19-10-12-5-3-2-4-6-12)9-13(16)15-7-8-18-14(15)17/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKeyRANOCIDNKMDYTE-LLVKDONJSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 102035679) is 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1CCOC1=O)SCc1ccccc1.
What is the InChIKey of 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RANOCIDNKMDYTE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(19-10-12-5-3-2-4-6-12)9-13(16)15-7-8-18-14(15)17/h2-6,11H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-benzylsulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102035679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).