1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol

C100H68Cl5F3N14O15 — CID 160599023

About 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol

1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol (PubChem CID 160599023) has the molecular formula C100H68Cl5F3N14O15 and a molecular weight of 1939.99 g/mol. Its IUPAC name is 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol.

Molecular Properties

• Compound Name: 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol
• PubChem CID: 160599023
• Molecular Formula: C100H68Cl5F3N14O15
• Molecular Weight: 1939.99 g/mol
• Exact Mass: 1936.34
• IUPAC Name: 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol
• SMILES: C.C=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)nc3)oc2c1.CC(=O)c1ccc2oc(-c3cc(Cl)nc(Cl)c3)nc2c1.CC(=O)c1ccc2oc(-c3ccc(Cl)nc3)nc2c1.CC(=O)c1ccc2oc(-c3cccnc3C)nc2c1.CC(=O)c1ccc2oc(-c3cccnc3Cl)nc2c1.CC(=O)c1ccc2oc(-c3ccnc(Cl)c3)nc2c1.O=C(O)c1ccc2oc(-c3ccncc3)nc2c1
• InChI: InChI=1S/C15H9F3N2O2.C15H12N2O2.C14H8Cl2N2O2.3C14H9ClN2O2.C13H8N2O3.CH4/c1-8(21)9-2-4-11-12(6-9)22-14(20-11)10-3-5-13(19-7-10)15(16,17)18;1-9-12(4-3-7-16-9)15-17-13-8-11(10(2)18)5-6-14(13)19-15;1-7(19)8-2-3-11-10(4-8)17-14(20-11)9-5-12(15)18-13(16)6-9;1-8(18)9-2-4-12-11(6-9)17-14(19-12)10-3-5-13(15)16-7-10;1-8(18)9-2-3-12-11(6-9)17-14(19-12)10-4-5-16-13(15)7-10;1-8(18)9-4-5-12-11(7-9)17-14(19-12)10-3-2-6-16-13(10)15;16-13(17)9-1-2-11-10(7-9)15-12(18-11)8-3-5-14-6-4-8;/h2-7,21H,1H2;3-8H,1-2H3;2-6H,1H3;3*2-7H,1H3;1-7H,(H,16,17);1H4
• InChIKey: REAHBZRPPVFMIP-UHFFFAOYSA-N
• XLogP: 26.70
• TPSA: 415.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.99
LogP ≤ 5	26.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol?

The IUPAC name of 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol (CID 160599023) is 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol.

What is the SMILES notation for 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol?

The canonical SMILES for 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol is C.C=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)nc3)oc2c1.CC(=O)c1ccc2oc(-c3cc(Cl)nc(Cl)c3)nc2c1.CC(=O)c1ccc2oc(-c3ccc(Cl)nc3)nc2c1.CC(=O)c1ccc2oc(-c3cccnc3C)nc2c1.CC(=O)c1ccc2oc(-c3cccnc3Cl)nc2c1.CC(=O)c1ccc2oc(-c3ccnc(Cl)c3)nc2c1.O=C(O)c1ccc2oc(-c3ccncc3)nc2c1.

What is the InChIKey of 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol?

The InChIKey is REAHBZRPPVFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2.C15H12N2O2.C14H8Cl2N2O2.3C14H9ClN2O2.C13H8N2O3.CH4/c1-8(21)9-2-4-11-12(6-9)22-14(20-11)10-3-5-13(19-7-10)15(16,17)18;1-9-12(4-3-7-16-9)15-17-13-8-11(10(2)18)5-6-14(13)19-15;1-7(19)8-2-3-11-10(4-8)17-14(20-11)9-5-12(15)18-13(16)6-9;1-8(18)9-2-4-12-11(6-9)17-14(19-12)10-3-5-13(15)16-7-10;1-8(18)9-2-3-12-11(6-9)17-14(19-12)10-4-5-16-13(15)7-10;1-8(18)9-4-5-12-11(7-9)17-14(19-12)10-3-2-6-16-13(10)15;16-13(17)9-1-2-11-10(7-9)15-12(18-11)8-3-5-14-6-4-8;/h2-7,21H,1H2;3-8H,1-2H3;2-6H,1H3;3*2-7H,1H3;1-7H,(H,16,17);1H4.

What are the key properties of 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol?

1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol has a molecular weight of 1939.99 g/mol, XLogP of 26.70, 14 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2-chloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(6-chloro-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;1-[2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;methane;1-[2-(2-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanone;2-pyridin-4-yl-1,3-benzoxazole-5-carboxylic acid;1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethenol is sourced from PubChem (CID 160599023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).