3-ethoxy-5-methyl-4-phenyl-1,2-oxazole

C12H13NO2 — CID 12968367

IUPAC3-ethoxy-5-methyl-4-phenyl-1,2-oxazole
SMILESCCOc1noc(C)c1-c1ccccc1
InChIInChI=1S/C12H13NO2/c1-3-14-12-11(9(2)15-13-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyNECKEUOMTKFPGD-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.05
Rot. Bonds3

About 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole

3-ethoxy-5-methyl-4-phenyl-1,2-oxazole (PubChem CID 12968367) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-ethoxy-5-methyl-4-phenyl-1,2-oxazole
PubChem CID12968367
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-ethoxy-5-methyl-4-phenyl-1,2-oxazole
SMILESCCOc1noc(C)c1-c1ccccc1
InChIInChI=1S/C12H13NO2/c1-3-14-12-11(9(2)15-13-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyNECKEUOMTKFPGD-UHFFFAOYSA-N
XLogP3.05
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole?
The IUPAC name of 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole (CID 12968367) is 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole.
What is the SMILES notation for 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole?
The canonical SMILES for 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole is CCOc1noc(C)c1-c1ccccc1.
What is the InChIKey of 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole?
The InChIKey is NECKEUOMTKFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-14-12-11(9(2)15-13-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole?
3-ethoxy-5-methyl-4-phenyl-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-4-phenyl-1,2-oxazole is sourced from PubChem (CID 12968367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).