3-phenyl-5-pyridin-2-yl-1,2-oxazole

C14H10N2O — CID 12848040

IUPAC3-phenyl-5-pyridin-2-yl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccccn3)on2)cc1
InChIInChI=1S/C14H10N2O/c1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12/h1-10H
InChIKeyZDAQFVKBUCWSHB-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.40
Rot. Bonds2

About 3-phenyl-5-pyridin-2-yl-1,2-oxazole

3-phenyl-5-pyridin-2-yl-1,2-oxazole (PubChem CID 12848040) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-phenyl-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-pyridin-2-yl-1,2-oxazole
PubChem CID12848040
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-phenyl-5-pyridin-2-yl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccccn3)on2)cc1
InChIInChI=1S/C14H10N2O/c1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12/h1-10H
InChIKeyZDAQFVKBUCWSHB-UHFFFAOYSA-N
XLogP3.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyridin-2-yl-1,2-oxazole?
The IUPAC name of 3-phenyl-5-pyridin-2-yl-1,2-oxazole (CID 12848040) is 3-phenyl-5-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-pyridin-2-yl-1,2-oxazole is c1ccc(-c2cc(-c3ccccn3)on2)cc1.
What is the InChIKey of 3-phenyl-5-pyridin-2-yl-1,2-oxazole?
The InChIKey is ZDAQFVKBUCWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12/h1-10H.
What are the key properties of 3-phenyl-5-pyridin-2-yl-1,2-oxazole?
3-phenyl-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 222.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 12848040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).