3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

C117H105N13O16 — CID 158943016

About 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 158943016) has the molecular formula C117H105N13O16 and a molecular weight of 1949.20 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 158943016
• Molecular Formula: C117H105N13O16
• Molecular Weight: 1949.20 g/mol
• Exact Mass: 1947.78
• IUPAC Name: 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.O=C(CCc1cc(-c2ccccc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C22H15N3O6.C21H22N2O2.C20H20N2O2.C19H18N2O2.C18H16N2O2.C17H14N2O2/c26-22(16-8-11-21(23-13-16)30-18-4-2-1-3-5-18)29-14-19-12-20(24-31-19)15-6-9-17(10-7-15)25(27)28;1-21(2,3)17-8-6-15(7-9-17)19-13-18(25-23-19)10-11-20(24)16-5-4-12-22-14-16;1-13-9-14(2)20(15(3)10-13)18-11-17(24-22-18)6-7-19(23)16-5-4-8-21-12-16;1-2-14-5-7-15(8-6-14)18-12-17(23-21-18)9-10-19(22)16-4-3-11-20-13-16;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;20-17(14-7-4-10-18-12-14)9-8-15-11-16(19-21-15)13-5-2-1-3-6-13/h1-13H,14H2;4-9,12-14H,10-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;3-8,11-13H,2,9-10H2,1H3;2-7,10-12H,8-9H2,1H3;1-7,10-12H,8-9H2
• InChIKey: JKMJDDXTKAIUKW-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 397.54 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.20
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (CID 158943016) is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one.

What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.O=C(CCc1cc(-c2ccccc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Oc2ccccc2)nc1.

What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is JKMJDDXTKAIUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O6.C21H22N2O2.C20H20N2O2.C19H18N2O2.C18H16N2O2.C17H14N2O2/c26-22(16-8-11-21(23-13-16)30-18-4-2-1-3-5-18)29-14-19-12-20(24-31-19)15-6-9-17(10-7-15)25(27)28;1-21(2,3)17-8-6-15(7-9-17)19-13-18(25-23-19)10-11-20(24)16-5-4-12-22-14-16;1-13-9-14(2)20(15(3)10-13)18-11-17(24-22-18)6-7-19(23)16-5-4-8-21-12-16;1-2-14-5-7-15(8-6-14)18-12-17(23-21-18)9-10-19(22)16-4-3-11-20-13-16;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;20-17(14-7-4-10-18-12-14)9-8-15-11-16(19-21-15)13-5-2-1-3-6-13/h1-13H,14H2;4-9,12-14H,10-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;3-8,11-13H,2,9-10H2,1H3;2-7,10-12H,8-9H2,1H3;1-7,10-12H,8-9H2.

What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1949.20 g/mol, XLogP of 25.65, 33 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;3-(3-phenyl-1,2-oxazol-5-yl)-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 158943016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).