2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole

C24H20N4O2 — CID 140729683

About 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole (PubChem CID 140729683) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
• PubChem CID: 140729683
• Molecular Formula: C24H20N4O2
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.16
• IUPAC Name: 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
• SMILES: CN1C=CN(c2cccc(Oc3cccc(-c4ncc(-c5cccnc5)o4)c3)c2)C1
• InChI: InChI=1S/C24H20N4O2/c1-27-11-12-28(17-27)20-7-3-9-22(14-20)29-21-8-2-5-18(13-21)24-26-16-23(30-24)19-6-4-10-25-15-19/h2-16H,17H2,1H3
• InChIKey: KXLRCFCLLADAAT-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 54.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole?

The IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole (CID 140729683) is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole.

What is the SMILES notation for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole?

The canonical SMILES for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole is CN1C=CN(c2cccc(Oc3cccc(-c4ncc(-c5cccnc5)o4)c3)c2)C1.

What is the InChIKey of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole?

The InChIKey is KXLRCFCLLADAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-27-11-12-28(17-27)20-7-3-9-22(14-20)29-21-8-2-5-18(13-21)24-26-16-23(30-24)19-6-4-10-25-15-19/h2-16H,17H2,1H3.

What are the key properties of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole?

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole has a molecular weight of 396.45 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 140729683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).