5-phenyl-3-pyridin-4-yl-1,2-oxazole

C14H10N2O — CID 5112426

IUPAC5-phenyl-3-pyridin-4-yl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H10N2O/c1-2-4-12(5-3-1)14-10-13(16-17-14)11-6-8-15-9-7-11/h1-10H
InChIKeyKKFSCWOXWWUFJO-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.40
Rot. Bonds2

About 5-phenyl-3-pyridin-4-yl-1,2-oxazole

5-phenyl-3-pyridin-4-yl-1,2-oxazole (PubChem CID 5112426) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-phenyl-3-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-pyridin-4-yl-1,2-oxazole
PubChem CID5112426
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name5-phenyl-3-pyridin-4-yl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H10N2O/c1-2-4-12(5-3-1)14-10-13(16-17-14)11-6-8-15-9-7-11/h1-10H
InChIKeyKKFSCWOXWWUFJO-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 5-phenyl-3-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-phenyl-3-pyridin-4-yl-1,2-oxazole (CID 5112426) is 5-phenyl-3-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-pyridin-4-yl-1,2-oxazole is c1ccc(-c2cc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-phenyl-3-pyridin-4-yl-1,2-oxazole?
The InChIKey is KKFSCWOXWWUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-4-12(5-3-1)14-10-13(16-17-14)11-6-8-15-9-7-11/h1-10H.
What are the key properties of 5-phenyl-3-pyridin-4-yl-1,2-oxazole?
5-phenyl-3-pyridin-4-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 5-phenyl-3-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 5112426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).