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

C18H14F3NO2 — CID 142719519

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol
SMILESCc1noc(C)c1-c1ccc(C(F)(F)F)cc1-c1ccc(O)cc1
InChIInChI=1S/C18H14F3NO2/c1-10-17(11(2)24-22-10)15-8-5-13(18(19,20)21)9-16(15)12-3-6-14(23)7-4-12/h3-9,23H,1-2H3
InChIKeyDYTGBWSAFWCKOC-UHFFFAOYSA-N
MW333.31 g/mol
LogP5.35
Rot. Bonds2

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

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol (PubChem CID 142719519) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol
PubChem CID142719519
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol
SMILESCc1noc(C)c1-c1ccc(C(F)(F)F)cc1-c1ccc(O)cc1
InChIInChI=1S/C18H14F3NO2/c1-10-17(11(2)24-22-10)15-8-5-13(18(19,20)21)9-16(15)12-3-6-14(23)7-4-12/h3-9,23H,1-2H3
InChIKeyDYTGBWSAFWCKOC-UHFFFAOYSA-N
XLogP5.35
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.31
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol (CID 142719519) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol is Cc1noc(C)c1-c1ccc(C(F)(F)F)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol?
The InChIKey is DYTGBWSAFWCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-10-17(11(2)24-22-10)15-8-5-13(18(19,20)21)9-16(15)12-3-6-14(23)7-4-12/h3-9,23H,1-2H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol has a molecular weight of 333.31 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 142719519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).