3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

C95H74F4N8O12 — CID 159970507

About 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (PubChem CID 159970507) has the molecular formula C95H74F4N8O12 and a molecular weight of 1595.67 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 159970507
• Molecular Formula: C95H74F4N8O12
• Molecular Weight: 1595.67 g/mol
• Exact Mass: 1594.54
• IUPAC Name: 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• SMILES: Cc1ccc(-c2cc(CCC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C24H17F3N2O3.2C24H20N2O3.C23H17FN2O3/c25-24(26,27)20-9-5-4-8-19(20)21-14-18(32-29-21)11-12-22(30)16-10-13-23(28-15-16)31-17-6-2-1-3-7-17;2*1-17-7-9-18(10-8-17)22-15-21(29-26-22)12-13-23(27)19-11-14-24(25-16-19)28-20-5-3-2-4-6-20;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17/h1-10,13-15H,11-12H2;2*2-11,14-16H,12-13H2,1H3;1-10,13-15H,11-12H2
• InChIKey: OEMFYMGGKHITTF-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 260.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.67
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (CID 159970507) is 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is Cc1ccc(-c2cc(CCC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1.

What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is OEMFYMGGKHITTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3.2C24H20N2O3.C23H17FN2O3/c25-24(26,27)20-9-5-4-8-19(20)21-14-18(32-29-21)11-12-22(30)16-10-13-23(28-15-16)31-17-6-2-1-3-7-17;2*1-17-7-9-18(10-8-17)22-15-21(29-26-22)12-13-23(27)19-11-14-24(25-16-19)28-20-5-3-2-4-6-20;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17/h1-10,13-15H,11-12H2;2*2-11,14-16H,12-13H2,1H3;1-10,13-15H,11-12H2.

What are the key properties of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1595.67 g/mol, XLogP of 23.15, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 159970507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).