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

C18H17NO — CID 19585809

IUPAC4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C18H17NO/c1-12-4-8-15(9-5-12)17-14(3)18(20-19-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3
InChIKeyQJXZPSHQBYEQMZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.93
Rot. Bonds2

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

4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole (PubChem CID 19585809) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole
PubChem CID19585809
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C18H17NO/c1-12-4-8-15(9-5-12)17-14(3)18(20-19-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3
InChIKeyQJXZPSHQBYEQMZ-UHFFFAOYSA-N
XLogP4.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole?
The IUPAC name of 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole (CID 19585809) is 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole is Cc1ccc(-c2noc(-c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole?
The InChIKey is QJXZPSHQBYEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-4-8-15(9-5-12)17-14(3)18(20-19-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3.
What are the key properties of 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole?
4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole has a molecular weight of 263.34 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 19585809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).