2-(4-pyridin-2-ylphenyl)-1,3-oxazole

C14H10N2O — CID 142277060

IUPAC2-(4-pyridin-2-ylphenyl)-1,3-oxazole
SMILESc1ccc(-c2ccc(-c3ncco3)cc2)nc1
InChIInChI=1S/C14H10N2O/c1-2-8-15-13(3-1)11-4-6-12(7-5-11)14-16-9-10-17-14/h1-10H
InChIKeyQSMKKLWUCVBNGB-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.40
Rot. Bonds2

About 2-(4-pyridin-2-ylphenyl)-1,3-oxazole

2-(4-pyridin-2-ylphenyl)-1,3-oxazole (PubChem CID 142277060) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenyl)-1,3-oxazole
PubChem CID142277060
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-(4-pyridin-2-ylphenyl)-1,3-oxazole
SMILESc1ccc(-c2ccc(-c3ncco3)cc2)nc1
InChIInChI=1S/C14H10N2O/c1-2-8-15-13(3-1)11-4-6-12(7-5-11)14-16-9-10-17-14/h1-10H
InChIKeyQSMKKLWUCVBNGB-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 2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-pyridin-2-ylphenyl)-1,3-oxazole (CID 142277060) is 2-(4-pyridin-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-pyridin-2-ylphenyl)-1,3-oxazole is c1ccc(-c2ccc(-c3ncco3)cc2)nc1.
What is the InChIKey of 2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
The InChIKey is QSMKKLWUCVBNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-8-15-13(3-1)11-4-6-12(7-5-11)14-16-9-10-17-14/h1-10H.
What are the key properties of 2-(4-pyridin-2-ylphenyl)-1,3-oxazole?
2-(4-pyridin-2-ylphenyl)-1,3-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 2-(4-pyridin-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 142277060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).