1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one

C13H17NO2 — CID 11842098

IUPAC1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-13(15)14-10-16-9-12(14)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m0/s1
InChIKeyPYBXDAADXDXNEB-LBPRGKRZSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds3

About 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one (PubChem CID 11842098) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one
PubChem CID11842098
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-13(15)14-10-16-9-12(14)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m0/s1
InChIKeyPYBXDAADXDXNEB-LBPRGKRZSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one (CID 11842098) is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one is CCC(=O)N1COC[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one?
The InChIKey is PYBXDAADXDXNEB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-13(15)14-10-16-9-12(14)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one?
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 11842098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).