ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate

C12H15NO3 — CID 135037592

IUPACethyl 5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(c2ccccc2)ON1
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3
InChIKeyVTMPFRHDEQHBDQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.58
Rot. Bonds3

About ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate

ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate (PubChem CID 135037592) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-1,2-oxazolidine-3-carboxylate
PubChem CID135037592
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(c2ccccc2)ON1
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3
InChIKeyVTMPFRHDEQHBDQ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate (CID 135037592) is ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)C1CC(c2ccccc2)ON1.
What is the InChIKey of ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is VTMPFRHDEQHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3.
What are the key properties of ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate?
ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 135037592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).