4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole

C18H19NO — CID 688301

IUPAC4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
SMILESCc1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-18(2,3)12-20-17/h4-11H,12H2,1-3H3
InChIKeyJUNZDJNCZJUDRU-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.22
Rot. Bonds2

About 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole (PubChem CID 688301) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
PubChem CID688301
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
SMILESCc1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-18(2,3)12-20-17/h4-11H,12H2,1-3H3
InChIKeyJUNZDJNCZJUDRU-UHFFFAOYSA-N
XLogP4.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole (CID 688301) is 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole is Cc1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole?
The InChIKey is JUNZDJNCZJUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-18(2,3)12-20-17/h4-11H,12H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 688301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).