ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate

C12H13NO3 — CID 57297314

IUPACethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)ON1
InChIInChI=1S/C12H13NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8,11,13H,2H2,1H3
InChIKeyLTXDZZZKYIUOFZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.71
Rot. Bonds3

About ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 57297314) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID57297314
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)ON1
InChIInChI=1S/C12H13NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8,11,13H,2H2,1H3
InChIKeyLTXDZZZKYIUOFZ-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate (CID 57297314) is ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=CC(c2ccccc2)ON1.
What is the InChIKey of ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is LTXDZZZKYIUOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8,11,13H,2H2,1H3.
What are the key properties of ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57297314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).