3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one

C14H17NO3S — CID 164684992

IUPAC3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(S[C@H](C)CC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C14H17NO3S/c1-10-3-5-12(6-4-10)19-11(2)9-13(16)15-7-8-18-14(15)17/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyKSBWLIYTEAEFMS-LLVKDONJSA-N
MW279.36 g/mol
LogP2.84
Rot. Bonds4

About 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 164684992) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID164684992
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(S[C@H](C)CC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C14H17NO3S/c1-10-3-5-12(6-4-10)19-11(2)9-13(16)15-7-8-18-14(15)17/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyKSBWLIYTEAEFMS-LLVKDONJSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 164684992) is 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one is Cc1ccc(S[C@H](C)CC(=O)N2CCOC2=O)cc1.
What is the InChIKey of 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KSBWLIYTEAEFMS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-3-5-12(6-4-10)19-11(2)9-13(16)15-7-8-18-14(15)17/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(4-methylphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164684992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).