1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone

C13H13NO2 — CID 131513513

IUPAC1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1onc(C)c1-c1ccc(C)cc1
InChIInChI=1S/C13H13NO2/c1-8-4-6-11(7-5-8)12-9(2)14-16-13(12)10(3)15/h4-7H,1-3H3
InChIKeyNNHJQMJKJYUBLF-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.16
Rot. Bonds2

About 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone

1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone (PubChem CID 131513513) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone
PubChem CID131513513
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1onc(C)c1-c1ccc(C)cc1
InChIInChI=1S/C13H13NO2/c1-8-4-6-11(7-5-8)12-9(2)14-16-13(12)10(3)15/h4-7H,1-3H3
InChIKeyNNHJQMJKJYUBLF-UHFFFAOYSA-N
XLogP3.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone (CID 131513513) is 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone is CC(=O)c1onc(C)c1-c1ccc(C)cc1.
What is the InChIKey of 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone?
The InChIKey is NNHJQMJKJYUBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-4-6-11(7-5-8)12-9(2)14-16-13(12)10(3)15/h4-7H,1-3H3.
What are the key properties of 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone?
1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone has a molecular weight of 215.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 131513513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).