ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate

C13H15NO3 — CID 14921232

IUPACethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)=NOC1C
InChIInChI=1S/C13H15NO3/c1-3-16-13(15)11-9(2)17-14-12(11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKeyRGTBJRGUAQFYLL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds3

About ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate

ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate (PubChem CID 14921232) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
PubChem CID14921232
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)=NOC1C
InChIInChI=1S/C13H15NO3/c1-3-16-13(15)11-9(2)17-14-12(11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKeyRGTBJRGUAQFYLL-UHFFFAOYSA-N
XLogP1.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate (CID 14921232) is ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate is CCOC(=O)C1C(c2ccccc2)=NOC1C.
What is the InChIKey of ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The InChIKey is RGTBJRGUAQFYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-16-13(15)11-9(2)17-14-12(11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 14921232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).