phenyl 2-(1,3-oxazolidin-2-yl)propanoate

C12H15NO3 — CID 70600642

IUPACphenyl 2-(1,3-oxazolidin-2-yl)propanoate
SMILESCC(C(=O)Oc1ccccc1)C1NCCO1
InChIInChI=1S/C12H15NO3/c1-9(11-13-7-8-15-11)12(14)16-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyAYQSOVBXORYYKY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.17
Rot. Bonds3

About phenyl 2-(1,3-oxazolidin-2-yl)propanoate

phenyl 2-(1,3-oxazolidin-2-yl)propanoate (PubChem CID 70600642) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is phenyl 2-(1,3-oxazolidin-2-yl)propanoate.

Molecular Properties

Compound Namephenyl 2-(1,3-oxazolidin-2-yl)propanoate
PubChem CID70600642
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namephenyl 2-(1,3-oxazolidin-2-yl)propanoate
SMILESCC(C(=O)Oc1ccccc1)C1NCCO1
InChIInChI=1S/C12H15NO3/c1-9(11-13-7-8-15-11)12(14)16-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyAYQSOVBXORYYKY-UHFFFAOYSA-N
XLogP1.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(1,3-oxazolidin-2-yl)propanoate?
The IUPAC name of phenyl 2-(1,3-oxazolidin-2-yl)propanoate (CID 70600642) is phenyl 2-(1,3-oxazolidin-2-yl)propanoate.
What is the SMILES notation for phenyl 2-(1,3-oxazolidin-2-yl)propanoate?
The canonical SMILES for phenyl 2-(1,3-oxazolidin-2-yl)propanoate is CC(C(=O)Oc1ccccc1)C1NCCO1.
What is the InChIKey of phenyl 2-(1,3-oxazolidin-2-yl)propanoate?
The InChIKey is AYQSOVBXORYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(11-13-7-8-15-11)12(14)16-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3.
What are the key properties of phenyl 2-(1,3-oxazolidin-2-yl)propanoate?
phenyl 2-(1,3-oxazolidin-2-yl)propanoate has a molecular weight of 221.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(1,3-oxazolidin-2-yl)propanoate is sourced from PubChem (CID 70600642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).