3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)

C124H105BrCl2N14O14 — CID 162000954

About 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one) (PubChem CID 162000954) has the molecular formula C124H105BrCl2N14O14 and a molecular weight of 2166.10 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one).

Molecular Properties

• Compound Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)
• PubChem CID: 162000954
• Molecular Formula: C124H105BrCl2N14O14
• Molecular Weight: 2166.10 g/mol
• Exact Mass: 2162.65
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)
• SMILES: Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)c(Cl)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cccc(-c2cc(CCC(=O)c3cccnc3)on2)c1.O=C(CCc1cc(-c2ccccc2Br)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cccnc1
• InChI: InChI=1S/C18H15ClN2O2.4C18H16N2O2.C17H13BrN2O2.C17H13ClN2O2/c1-12-4-6-15(16(19)9-12)17-10-14(23-21-17)5-7-18(22)13-3-2-8-20-11-13;1-13-4-2-5-14(10-13)17-11-16(22-20-17)7-8-18(21)15-6-3-9-19-12-15;3*1-13-4-6-14(7-5-13)17-11-16(22-20-17)8-9-18(21)15-3-2-10-19-12-15;2*18-15-6-2-1-5-14(15)16-10-13(22-20-16)7-8-17(21)12-4-3-9-19-11-12/h2-4,6,8-11H,5,7H2,1H3;2-6,9-12H,7-8H2,1H3;3*2-7,10-12H,8-9H2,1H3;2*1-6,9-11H,7-8H2
• InChIKey: YSEXTSOIZDUACG-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 391.93 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.10
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)?

The IUPAC name of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one) (CID 162000954) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one).

What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)?

The canonical SMILES for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one) is Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)c(Cl)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cccc(-c2cc(CCC(=O)c3cccnc3)on2)c1.O=C(CCc1cc(-c2ccccc2Br)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cccnc1.

What is the InChIKey of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)?

The InChIKey is YSEXTSOIZDUACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2.4C18H16N2O2.C17H13BrN2O2.C17H13ClN2O2/c1-12-4-6-15(16(19)9-12)17-10-14(23-21-17)5-7-18(22)13-3-2-8-20-11-13;1-13-4-2-5-14(10-13)17-11-16(22-20-17)7-8-18(21)15-6-3-9-19-12-15;3*1-13-4-6-14(7-5-13)17-11-16(22-20-17)8-9-18(21)15-3-2-10-19-12-15;2*18-15-6-2-1-5-14(15)16-10-13(22-20-16)7-8-17(21)12-4-3-9-19-11-12/h2-4,6,8-11H,5,7H2,1H3;2-6,9-12H,7-8H2,1H3;3*2-7,10-12H,8-9H2,1H3;2*1-6,9-11H,7-8H2.

What are the key properties of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one)?

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one) has a molecular weight of 2166.10 g/mol, XLogP of 28.48, 35 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;tris(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one) is sourced from PubChem (CID 162000954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).