1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one

C15H21NO2 — CID 851748

IUPAC1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1[C@@H](Cc2ccccc2)COC1(C)C
InChIInChI=1S/C15H21NO2/c1-4-14(17)16-13(11-18-15(16,2)3)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-/m0/s1
InChIKeyIRYHYHQTUGHKKG-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds3

About 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one

1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one (PubChem CID 851748) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one
PubChem CID851748
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1[C@@H](Cc2ccccc2)COC1(C)C
InChIInChI=1S/C15H21NO2/c1-4-14(17)16-13(11-18-15(16,2)3)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-/m0/s1
InChIKeyIRYHYHQTUGHKKG-ZDUSSCGKSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
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-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one (CID 851748) is 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one is CCC(=O)N1[C@@H](Cc2ccccc2)COC1(C)C.
What is the InChIKey of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one?
The InChIKey is IRYHYHQTUGHKKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-14(17)16-13(11-18-15(16,2)3)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one?
1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.60, 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-2,2-dimethyl-1,3-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 851748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).