5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

C189H178F3N23O11 — CID 157424678

About 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 157424678) has the molecular formula C189H178F3N23O11 and a molecular weight of 3004.65 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
• PubChem CID: 157424678
• Molecular Formula: C189H178F3N23O11
• Molecular Weight: 3004.65 g/mol
• Exact Mass: 3002.40
• IUPAC Name: 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
• SMILES: COc1cccc(C2CCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(C2CCc3oc(-c4ncccc4C)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ccncn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4cnccn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4cnccn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ncccc4C)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ncccc4C)nc3C2)c1.c1ccc(C2CCc3oc(-c4ccccn4)nc3C2)cc1
• InChI: InChI=1S/C20H19FN2O.2C20H20N2O.2C19H17FN2O.C19H18N2O2.3C18H17N3O.C18H16N2O/c1-12-8-15(10-16(21)9-12)14-5-6-18-17(11-14)23-20(24-18)19-13(2)4-3-7-22-19;2*1-13-5-3-7-15(11-13)16-8-9-18-17(12-16)22-20(23-18)19-14(2)6-4-10-21-19;2*1-12-3-2-4-13(9-12)14-5-8-18-17(10-14)22-19(23-18)16-7-6-15(20)11-21-16;1-22-15-6-4-5-13(11-15)14-8-9-18-17(12-14)21-19(23-18)16-7-2-3-10-20-16;2*1-12-3-2-4-13(9-12)14-5-6-17-15(10-14)21-18(22-17)16-11-19-7-8-20-16;1-12-3-2-4-13(9-12)14-5-6-17-16(10-14)21-18(22-17)15-7-8-19-11-20-15;1-2-6-13(7-3-1)14-9-10-17-16(12-14)20-18(21-17)15-8-4-5-11-19-15/h3-4,7-10,14H,5-6,11H2,1-2H3;2*3-7,10-11,16H,8-9,12H2,1-2H3;2*2-4,6-7,9,11,14H,5,8,10H2,1H3;2-7,10-11,14H,8-9,12H2,1H3;3*2-4,7-9,11,14H,5-6,10H2,1H3;1-8,11,14H,9-10,12H2
• InChIKey: BPUZTKGAOXXUBI-UHFFFAOYSA-N
• XLogP: 42.09
• TPSA: 437.10 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3004.65
LogP ≤ 5	42.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?

The IUPAC name of 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 157424678) is 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?

The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is COc1cccc(C2CCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(C2CCc3oc(-c4ncccc4C)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ccncn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4cnccn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4cnccn4)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ncccc4C)nc3C2)c1.Cc1cccc(C2CCc3oc(-c4ncccc4C)nc3C2)c1.c1ccc(C2CCc3oc(-c4ccccn4)nc3C2)cc1.

What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?

The InChIKey is BPUZTKGAOXXUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O.2C20H20N2O.2C19H17FN2O.C19H18N2O2.3C18H17N3O.C18H16N2O/c1-12-8-15(10-16(21)9-12)14-5-6-18-17(11-14)23-20(24-18)19-13(2)4-3-7-22-19;2*1-13-5-3-7-15(11-13)16-8-9-18-17(12-16)22-20(23-18)19-14(2)6-4-10-21-19;2*1-12-3-2-4-13(9-12)14-5-8-18-17(10-14)22-19(23-18)16-7-6-15(20)11-21-16;1-22-15-6-4-5-13(11-15)14-8-9-18-17(12-14)21-19(23-18)16-7-2-3-10-20-16;2*1-12-3-2-4-13(9-12)14-5-6-17-15(10-14)21-18(22-17)16-11-19-7-8-20-16;1-12-3-2-4-13(9-12)14-5-6-17-16(10-14)21-18(22-17)15-7-8-19-11-20-15;1-2-6-13(7-3-1)14-9-10-17-16(12-14)20-18(21-17)15-8-4-5-11-19-15/h3-4,7-10,14H,5-6,11H2,1-2H3;2*3-7,10-11,16H,8-9,12H2,1-2H3;2*2-4,6-7,9,11,14H,5,8,10H2,1H3;2-7,10-11,14H,8-9,12H2,1H3;3*2-4,7-9,11,14H,5-6,10H2,1H3;1-8,11,14H,9-10,12H2.

What are the key properties of 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?

5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 3004.65 g/mol, XLogP of 42.09, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-5-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;bis(5-(3-methylphenyl)-2-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole);bis(5-(3-methylphenyl)-2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole);5-(3-methylphenyl)-2-pyrimidin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;5-phenyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 157424678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).