5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole

C23H20N2O2 — CID 58178322

IUPAC5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccc(-c3ccccn3)cc2)cc(C)c1C
InChIInChI=1S/C23H20N2O2/c1-15-12-19(13-22(26-3)16(15)2)23-20(14-25-27-23)17-7-9-18(10-8-17)21-6-4-5-11-24-21/h4-14H,1-3H3
InChIKeyWHRDPXLYLFPGKY-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.70
Rot. Bonds4

About 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole

5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole (PubChem CID 58178322) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole
PubChem CID58178322
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccc(-c3ccccn3)cc2)cc(C)c1C
InChIInChI=1S/C23H20N2O2/c1-15-12-19(13-22(26-3)16(15)2)23-20(14-25-27-23)17-7-9-18(10-8-17)21-6-4-5-11-24-21/h4-14H,1-3H3
InChIKeyWHRDPXLYLFPGKY-UHFFFAOYSA-N
XLogP5.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole?
The IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole (CID 58178322) is 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole is COc1cc(-c2oncc2-c2ccc(-c3ccccn3)cc2)cc(C)c1C.
What is the InChIKey of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole?
The InChIKey is WHRDPXLYLFPGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-12-19(13-22(26-3)16(15)2)23-20(14-25-27-23)17-7-9-18(10-8-17)21-6-4-5-11-24-21/h4-14H,1-3H3.
What are the key properties of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole?
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole has a molecular weight of 356.43 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-pyridin-2-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 58178322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).