1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone

C19H19NO2 — CID 14197425

IUPAC1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone
SMILESCC(=O)c1c(C2=NC(C)(C)CO2)cccc1-c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13(21)17-15(14-8-5-4-6-9-14)10-7-11-16(17)18-20-19(2,3)12-22-18/h4-11H,12H2,1-3H3
InChIKeySBEIIFWGOOMFNG-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone

1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone (PubChem CID 14197425) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone
PubChem CID14197425
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone
SMILESCC(=O)c1c(C2=NC(C)(C)CO2)cccc1-c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13(21)17-15(14-8-5-4-6-9-14)10-7-11-16(17)18-20-19(2,3)12-22-18/h4-11H,12H2,1-3H3
InChIKeySBEIIFWGOOMFNG-UHFFFAOYSA-N
XLogP4.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone?
The IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone (CID 14197425) is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone.
What is the SMILES notation for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone?
The canonical SMILES for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone is CC(=O)c1c(C2=NC(C)(C)CO2)cccc1-c1ccccc1.
What is the InChIKey of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone?
The InChIKey is SBEIIFWGOOMFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(21)17-15(14-8-5-4-6-9-14)10-7-11-16(17)18-20-19(2,3)12-22-18/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone?
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone is sourced from PubChem (CID 14197425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).