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

C19H19NO2 — CID 14197426

IUPAC[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone
SMILESCc1cccc(C2=NC(C)(C)CO2)c1C(=O)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13-8-7-11-15(18-20-19(2,3)12-22-18)16(13)17(21)14-9-5-4-6-10-14/h4-11H,12H2,1-3H3
InChIKeyZESSZQTZPBLVFN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.78
Rot. Bonds3

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

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone (PubChem CID 14197426) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone
PubChem CID14197426
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone
SMILESCc1cccc(C2=NC(C)(C)CO2)c1C(=O)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13-8-7-11-15(18-20-19(2,3)12-22-18)16(13)17(21)14-9-5-4-6-10-14/h4-11H,12H2,1-3H3
InChIKeyZESSZQTZPBLVFN-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone?
The IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone (CID 14197426) is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone?
The canonical SMILES for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone is Cc1cccc(C2=NC(C)(C)CO2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone?
The InChIKey is ZESSZQTZPBLVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-8-7-11-15(18-20-19(2,3)12-22-18)16(13)17(21)14-9-5-4-6-10-14/h4-11H,12H2,1-3H3.
What are the key properties of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone?
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone has a molecular weight of 293.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone is sourced from PubChem (CID 14197426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).