3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

C113H100Cl6N12O13 — CID 159063169

About 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-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-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 159063169) has the molecular formula C113H100Cl6N12O13 and a molecular weight of 2046.83 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-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-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 159063169
• Molecular Formula: C113H100Cl6N12O13
• Molecular Weight: 2046.83 g/mol
• Exact Mass: 2042.57
• IUPAC Name: 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.COc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3Cl)on2)c(C)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.O=C(CCc1cc(-c2ccccc2)no1)c1cccnc1Cl
• InChI: InChI=1S/C21H21ClN2O2.C20H19ClN2O2.C19H17ClN2O2.C18H15ClN2O3.C18H15ClN2O2.C17H13ClN2O2/c1-21(2,3)15-8-6-14(7-9-15)18-13-16(26-24-18)10-11-19(25)17-5-4-12-23-20(17)22;1-12-9-13(2)19(14(3)10-12)17-11-15(25-23-17)6-7-18(24)16-5-4-8-22-20(16)21;1-2-13-5-7-14(8-6-13)17-12-15(24-22-17)9-10-18(23)16-4-3-11-21-19(16)20;1-23-13-6-4-12(5-7-13)16-11-14(24-21-16)8-9-17(22)15-3-2-10-20-18(15)19;1-12-4-6-13(7-5-12)16-11-14(23-21-16)8-9-17(22)15-3-2-10-20-18(15)19;18-17-14(7-4-10-19-17)16(21)9-8-13-11-15(20-22-13)12-5-2-1-3-6-12/h4-9,12-13H,10-11H2,1-3H3;4-5,8-11H,6-7H2,1-3H3;3-8,11-12H,2,9-10H2,1H3;2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9H2,1H3;1-7,10-11H,8-9H2
• InChIKey: JYSNAUQXMMQYOX-UHFFFAOYSA-N
• XLogP: 28.34
• TPSA: 345.17 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2046.83
LogP ≤ 5	28.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-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-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (CID 159063169) is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-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-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-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-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.COc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3Cl)on2)c(C)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.O=C(CCc1cc(-c2ccccc2)no1)c1cccnc1Cl.

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

The InChIKey is JYSNAUQXMMQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.C20H19ClN2O2.C19H17ClN2O2.C18H15ClN2O3.C18H15ClN2O2.C17H13ClN2O2/c1-21(2,3)15-8-6-14(7-9-15)18-13-16(26-24-18)10-11-19(25)17-5-4-12-23-20(17)22;1-12-9-13(2)19(14(3)10-12)17-11-15(25-23-17)6-7-18(24)16-5-4-8-22-20(16)21;1-2-13-5-7-14(8-6-13)17-12-15(24-22-17)9-10-18(23)16-4-3-11-21-19(16)20;1-23-13-6-4-12(5-7-13)16-11-14(24-21-16)8-9-17(22)15-3-2-10-20-18(15)19;1-12-4-6-13(7-5-12)16-11-14(23-21-16)8-9-17(22)15-3-2-10-20-18(15)19;18-17-14(7-4-10-19-17)16(21)9-8-13-11-15(20-22-13)12-5-2-1-3-6-12/h4-9,12-13H,10-11H2,1-3H3;4-5,8-11H,6-7H2,1-3H3;3-8,11-12H,2,9-10H2,1H3;2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9H2,1H3;1-7,10-11H,8-9H2.

What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-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-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 2046.83 g/mol, XLogP of 28.34, 32 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 159063169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).