5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole

C15H19NO — CID 71396992

IUPAC5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(-c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C15H19NO/c1-10-11(2)16-17-14(10)12-6-8-13(9-7-12)15(3,4)5/h6-9H,1-5H3
InChIKeyMHZPBEUEFQCPRQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.26
Rot. Bonds1

About 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole

5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole (PubChem CID 71396992) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole
PubChem CID71396992
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(-c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C15H19NO/c1-10-11(2)16-17-14(10)12-6-8-13(9-7-12)15(3,4)5/h6-9H,1-5H3
InChIKeyMHZPBEUEFQCPRQ-UHFFFAOYSA-N
XLogP4.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole (CID 71396992) is 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole is Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole?
The InChIKey is MHZPBEUEFQCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-11(2)16-17-14(10)12-6-8-13(9-7-12)15(3,4)5/h6-9H,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole?
5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 71396992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).