3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one

C17H17NO3S — CID 10925099

IUPAC3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1CCOC1=O)Sc1ccc2ccccc2c1
InChIInChI=1S/C17H17NO3S/c1-12(10-16(19)18-8-9-21-17(18)20)22-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11-12H,8-10H2,1H3/t12-/m0/s1
InChIKeyWBVAZACIJIYNIV-LBPRGKRZSA-N
MW315.39 g/mol
LogP3.69
Rot. Bonds4

About 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 10925099) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID10925099
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1CCOC1=O)Sc1ccc2ccccc2c1
InChIInChI=1S/C17H17NO3S/c1-12(10-16(19)18-8-9-21-17(18)20)22-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11-12H,8-10H2,1H3/t12-/m0/s1
InChIKeyWBVAZACIJIYNIV-LBPRGKRZSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 10925099) is 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one is C[C@@H](CC(=O)N1CCOC1=O)Sc1ccc2ccccc2c1.
What is the InChIKey of 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is WBVAZACIJIYNIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12(10-16(19)18-8-9-21-17(18)20)22-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11-12H,8-10H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 315.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10925099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).