5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole

C17H17NO — CID 58473804

IUPAC5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(C)(c3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)16-12-17(2,19-18-16)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyZJVURRWCXONMER-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.03
Rot. Bonds2

About 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole

5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole (PubChem CID 58473804) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
PubChem CID58473804
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(C)(c3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)16-12-17(2,19-18-16)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyZJVURRWCXONMER-UHFFFAOYSA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole (CID 58473804) is 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole is Cc1ccc(C2=NOC(C)(c3ccccc3)C2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole?
The InChIKey is ZJVURRWCXONMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)16-12-17(2,19-18-16)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole?
5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole has a molecular weight of 251.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 58473804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).