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

C13H13NO3 — CID 3231335

IUPACethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C13H13NO3/c1-3-16-13(15)11-9(2)17-12(14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyBIHPJNQKVPGOCY-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.83
Rot. Bonds3

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

ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 3231335) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID3231335
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C13H13NO3/c1-3-16-13(15)11-9(2)17-12(14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyBIHPJNQKVPGOCY-UHFFFAOYSA-N
XLogP2.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 3231335) is ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is BIHPJNQKVPGOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-16-13(15)11-9(2)17-12(14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3231335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).