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

C17H12F3NO2 — CID 11278604

IUPAC2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C17H12F3NO2/c1-11-21-15(10-22-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)23-17(18,19)20/h2-10H,1H3
InChIKeyZGGZVRHQQNXZCW-UHFFFAOYSA-N
MW319.28 g/mol
LogP5.22
Rot. Bonds3

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

2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole (PubChem CID 11278604) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
PubChem CID11278604
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C17H12F3NO2/c1-11-21-15(10-22-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)23-17(18,19)20/h2-10H,1H3
InChIKeyZGGZVRHQQNXZCW-UHFFFAOYSA-N
XLogP5.22
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole (CID 11278604) is 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole is Cc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.
What is the InChIKey of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?
The InChIKey is ZGGZVRHQQNXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-11-21-15(10-22-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)23-17(18,19)20/h2-10H,1H3.
What are the key properties of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?
2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole has a molecular weight of 319.28 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 11278604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).