(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one

C13H15NO3 — CID 2733696

IUPAC(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyWHOBYFHKONUTMW-NSHDSACASA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds3

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

(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 2733696) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID2733696
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyWHOBYFHKONUTMW-NSHDSACASA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one (CID 2733696) is (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is WHOBYFHKONUTMW-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2733696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).