4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

C11H8F3NO2 — CID 4692990

IUPAC4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)F)no2)c1
InChIInChI=1S/C11H8F3NO2/c1-6-2-3-8(16)7(4-6)9-5-10(15-17-9)11(12,13)14/h2-5,16H,1H3
InChIKeyBHEWFXOQBHBMHS-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.37
Rot. Bonds1

About 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 4692990) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
PubChem CID4692990
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)F)no2)c1
InChIInChI=1S/C11H8F3NO2/c1-6-2-3-8(16)7(4-6)9-5-10(15-17-9)11(12,13)14/h2-5,16H,1H3
InChIKeyBHEWFXOQBHBMHS-UHFFFAOYSA-N
XLogP3.37
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (CID 4692990) is 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is Cc1ccc(O)c(-c2cc(C(F)(F)F)no2)c1.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is BHEWFXOQBHBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-6-2-3-8(16)7(4-6)9-5-10(15-17-9)11(12,13)14/h2-5,16H,1H3.
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 243.18 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 4692990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).