5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole

C15H12N2O — CID 616745

IUPAC5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole
SMILESCc1ccc(-c2cnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H12N2O/c1-11-2-4-12(5-3-11)14-10-17-15(18-14)13-6-8-16-9-7-13/h2-10H,1H3
InChIKeyDKOMHWUGLNQZPW-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.71
Rot. Bonds2

About 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole

5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole (PubChem CID 616745) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole
PubChem CID616745
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole
SMILESCc1ccc(-c2cnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H12N2O/c1-11-2-4-12(5-3-11)14-10-17-15(18-14)13-6-8-16-9-7-13/h2-10H,1H3
InChIKeyDKOMHWUGLNQZPW-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole (CID 616745) is 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole is Cc1ccc(-c2cnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole?
The InChIKey is DKOMHWUGLNQZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-2-4-12(5-3-11)14-10-17-15(18-14)13-6-8-16-9-7-13/h2-10H,1H3.
What are the key properties of 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole?
5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole has a molecular weight of 236.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 616745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).