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

C15H8BrF3N2O2 — CID 135429332

IUPAC4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ncccc2C(F)(F)F)on1
InChIInChI=1S/C15H8BrF3N2O2/c16-8-3-4-12(22)9(6-8)11-7-13(23-21-11)14-10(15(17,18)19)2-1-5-20-14/h1-7,22H
InChIKeyISXWWNYZKRLXRC-UHFFFAOYSA-N
MW385.14 g/mol
LogP4.89
Rot. Bonds2

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

4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol (PubChem CID 135429332) has the molecular formula C15H8BrF3N2O2 and a molecular weight of 385.14 g/mol. Its IUPAC name is 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol
PubChem CID135429332
Molecular FormulaC15H8BrF3N2O2
Molecular Weight385.14 g/mol
Exact Mass383.97
IUPAC Name4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ncccc2C(F)(F)F)on1
InChIInChI=1S/C15H8BrF3N2O2/c16-8-3-4-12(22)9(6-8)11-7-13(23-21-11)14-10(15(17,18)19)2-1-5-20-14/h1-7,22H
InChIKeyISXWWNYZKRLXRC-UHFFFAOYSA-N
XLogP4.89
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol (CID 135429332) is 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol is Oc1ccc(Br)cc1-c1cc(-c2ncccc2C(F)(F)F)on1.
What is the InChIKey of 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol?
The InChIKey is ISXWWNYZKRLXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O2/c16-8-3-4-12(22)9(6-8)11-7-13(23-21-11)14-10(15(17,18)19)2-1-5-20-14/h1-7,22H.
What are the key properties of 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol?
4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol has a molecular weight of 385.14 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 135429332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).