3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

C118H113F3N12O15 — CID 160691685

About 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 160691685) has the molecular formula C118H113F3N12O15 and a molecular weight of 1996.26 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 160691685
• Molecular Formula: C118H113F3N12O15
• Molecular Weight: 1996.26 g/mol
• Exact Mass: 1994.84
• IUPAC Name: 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: COc1cccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2ccc(C)nc2)on1.Cc1cc(C)c(-c2cc(CCC(=O)c3ccc(C)nc3)on2)c(C)c1.Cc1ccc(C(=O)CCc2cc(-c3ccc(C(C)(C)C)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(O)cc3)no2)cn1
• InChI: InChI=1S/C22H24N2O2.C21H22N2O2.C19H15F3N2O2.2C19H18N2O3.C18H16N2O3/c1-15-5-6-17(14-23-15)21(25)12-11-19-13-20(24-26-19)16-7-9-18(10-8-16)22(2,3)4;1-13-9-14(2)21(15(3)10-13)19-11-18(25-23-19)7-8-20(24)17-6-5-16(4)22-12-17;1-12-2-3-14(11-23-12)18(25)9-8-16-10-17(24-26-16)13-4-6-15(7-5-13)19(20,21)22;1-13-6-7-15(12-20-13)19(22)9-8-17-11-18(21-24-17)14-4-3-5-16(10-14)23-2;1-13-7-8-14(12-20-13)18(22)10-9-15-11-17(21-24-15)16-5-3-4-6-19(16)23-2;1-12-2-3-14(11-19-12)18(22)9-8-16-10-17(20-23-16)13-4-6-15(21)7-5-13/h5-10,13-14H,11-12H2,1-4H3;5-6,9-12H,7-8H2,1-4H3;2-7,10-11H,8-9H2,1H3;3-7,10-12H,8-9H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2-7,10-11,21H,8-9H2,1H3
• InChIKey: RPMGIPALLZSOGE-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 374.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.26
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (CID 160691685) is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is COc1cccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2ccc(C)nc2)on1.Cc1cc(C)c(-c2cc(CCC(=O)c3ccc(C)nc3)on2)c(C)c1.Cc1ccc(C(=O)CCc2cc(-c3ccc(C(C)(C)C)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(O)cc3)no2)cn1.

What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is RPMGIPALLZSOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2.C21H22N2O2.C19H15F3N2O2.2C19H18N2O3.C18H16N2O3/c1-15-5-6-17(14-23-15)21(25)12-11-19-13-20(24-26-19)16-7-9-18(10-8-16)22(2,3)4;1-13-9-14(2)21(15(3)10-13)19-11-18(25-23-19)7-8-20(24)17-6-5-16(4)22-12-17;1-12-2-3-14(11-23-12)18(25)9-8-16-10-17(24-26-16)13-4-6-15(7-5-13)19(20,21)22;1-13-6-7-15(12-20-13)19(22)9-8-17-11-18(21-24-17)14-4-3-5-16(10-14)23-2;1-13-7-8-14(12-20-13)18(22)10-9-15-11-17(21-24-15)16-5-3-4-6-19(16)23-2;1-12-2-3-14(11-19-12)18(22)9-8-16-10-17(20-23-16)13-4-6-15(21)7-5-13/h5-10,13-14H,11-12H2,1-4H3;5-6,9-12H,7-8H2,1-4H3;2-7,10-11H,8-9H2,1H3;3-7,10-12H,8-9H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2-7,10-11,21H,8-9H2,1H3.

What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1996.26 g/mol, XLogP of 26.13, 32 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 160691685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).