2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C11H8F3NO — CID 59726242

IUPAC2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C11H8F3NO/c1-7-15-10(6-16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3
InChIKeyWSOWINQRCXRRRO-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.67
Rot. Bonds1

About 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole

2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 59726242) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID59726242
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C11H8F3NO/c1-7-15-10(6-16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3
InChIKeyWSOWINQRCXRRRO-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 59726242) is 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)co1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is WSOWINQRCXRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-15-10(6-16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 227.19 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 59726242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).