5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole

C19H19NO — CID 11231244

IUPAC5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole
SMILESCc1cc(C)c(-c2noc(C)c2-c2ccccc2)c(C)c1
InChIInChI=1S/C19H19NO/c1-12-10-13(2)17(14(3)11-12)19-18(15(4)21-20-19)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyXEMGPWMXEPSKFU-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.24
Rot. Bonds2

About 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole

5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole (PubChem CID 11231244) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole
PubChem CID11231244
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole
SMILESCc1cc(C)c(-c2noc(C)c2-c2ccccc2)c(C)c1
InChIInChI=1S/C19H19NO/c1-12-10-13(2)17(14(3)11-12)19-18(15(4)21-20-19)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyXEMGPWMXEPSKFU-UHFFFAOYSA-N
XLogP5.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole (CID 11231244) is 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole is Cc1cc(C)c(-c2noc(C)c2-c2ccccc2)c(C)c1.
What is the InChIKey of 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
The InChIKey is XEMGPWMXEPSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12-10-13(2)17(14(3)11-12)19-18(15(4)21-20-19)16-8-6-5-7-9-16/h5-11H,1-4H3.
What are the key properties of 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole has a molecular weight of 277.37 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole is sourced from PubChem (CID 11231244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).