4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol

C14H9BrN2O2 — CID 135429334

IUPAC4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccn2)on1
InChIInChI=1S/C14H9BrN2O2/c15-9-4-5-13(18)10(7-9)12-8-14(19-17-12)11-3-1-2-6-16-11/h1-8,18H
InChIKeyNTDJLINZTGTUBA-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.87
Rot. Bonds2

About 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol

4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol (PubChem CID 135429334) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol
PubChem CID135429334
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccn2)on1
InChIInChI=1S/C14H9BrN2O2/c15-9-4-5-13(18)10(7-9)12-8-14(19-17-12)11-3-1-2-6-16-11/h1-8,18H
InChIKeyNTDJLINZTGTUBA-UHFFFAOYSA-N
XLogP3.87
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol?
The IUPAC name of 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol (CID 135429334) is 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol.
What is the SMILES notation for 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol?
The canonical SMILES for 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol is Oc1ccc(Br)cc1-c1cc(-c2ccccn2)on1.
What is the InChIKey of 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol?
The InChIKey is NTDJLINZTGTUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-9-4-5-13(18)10(7-9)12-8-14(19-17-12)11-3-1-2-6-16-11/h1-8,18H.
What are the key properties of 4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol?
4-bromo-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol has a molecular weight of 317.14 g/mol, XLogP of 3.87, 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-pyridin-2-yl-1,2-oxazol-3-yl)phenol is sourced from PubChem (CID 135429334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).