3,5-dimethyl-4-phenyl-1,2-oxazole

C11H11NO — CID 5325760

IUPAC3,5-dimethyl-4-phenyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccccc1
InChIInChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyBHAXDAUULXCVEK-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.96
Rot. Bonds1

About 3,5-dimethyl-4-phenyl-1,2-oxazole

3,5-dimethyl-4-phenyl-1,2-oxazole (PubChem CID 5325760) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-phenyl-1,2-oxazole
PubChem CID5325760
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3,5-dimethyl-4-phenyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccccc1
InChIInChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyBHAXDAUULXCVEK-UHFFFAOYSA-N
XLogP2.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-phenyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-phenyl-1,2-oxazole (CID 5325760) is 3,5-dimethyl-4-phenyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-phenyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-phenyl-1,2-oxazole is Cc1noc(C)c1-c1ccccc1.
What is the InChIKey of 3,5-dimethyl-4-phenyl-1,2-oxazole?
The InChIKey is BHAXDAUULXCVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-4-phenyl-1,2-oxazole?
3,5-dimethyl-4-phenyl-1,2-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-phenyl-1,2-oxazole is sourced from PubChem (CID 5325760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).