2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole

C170H144ClFN22O9S — CID 159547998

About 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole

2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 159547998) has the molecular formula C170H144ClFN22O9S and a molecular weight of 2725.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole
• PubChem CID: 159547998
• Molecular Formula: C170H144ClFN22O9S
• Molecular Weight: 2725.68 g/mol
• Exact Mass: 2723.09
• IUPAC Name: 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole
• SMILES: Cc1cc(F)cc(C2CCc3nc(-c4ccccc4)oc3C2)c1.Cc1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.Cc1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.Clc1ccccc1-c1nc2c(o1)CC(c1ccccn1)CC2.[C-]#[N+]c1cccc(-c2nc3c(o2)CC(c2cccc(C)c2)CC3)c1.[C-]#[N+]c1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.[C-]#[N+]c1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.c1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1.c1ccc(-c2nc3c(o2)CC(c2nccs2)CC3)nc1
• InChI: InChI=1S/C21H18N2O.C20H18FNO.C20H14N4O.C20H17N3O.C19H15N3O.C19H18N2O.C18H15ClN2O.C18H16N2O.C15H13N3OS/c1-14-5-3-6-15(11-14)16-9-10-19-20(13-16)24-21(23-19)17-7-4-8-18(12-17)22-2;1-13-9-16(11-17(21)10-13)15-7-8-18-19(12-15)23-20(22-18)14-5-3-2-4-6-14;1-22-16-6-2-4-14(10-16)20-24-17-8-7-13(11-18(17)25-20)19-15(12-21)5-3-9-23-19;1-13-4-2-5-15(10-13)20-23-17-8-7-14(11-18(17)24-20)19-16(12-21)6-3-9-22-19;1-20-15-6-4-5-14(11-15)19-22-17-9-8-13(12-18(17)23-19)16-7-2-3-10-21-16;1-13-5-4-6-15(11-13)19-21-17-9-8-14(12-18(17)22-19)16-7-2-3-10-20-16;19-14-6-2-1-5-13(14)18-21-16-9-8-12(11-17(16)22-18)15-7-3-4-10-20-15;1-2-6-13(7-3-1)18-20-16-10-9-14(12-17(16)21-18)15-8-4-5-11-19-15;1-2-6-16-12(3-1)14-18-11-5-4-10(9-13(11)19-14)15-17-7-8-20-15/h3-8,11-12,16H,9-10,13H2,1H3;2-6,9-11,15H,7-8,12H2,1H3;2-6,9-10,13H,7-8,11H2;2-6,9-10,14H,7-8,11H2,1H3;2-7,10-11,13H,8-9,12H2;2-7,10-11,14H,8-9,12H2,1H3;1-7,10,12H,8-9,11H2;1-8,11,14H,9-10,12H2;1-3,6-8,10H,4-5,9H2
• InChIKey: MFAQFSVXFHYOHX-UHFFFAOYSA-N
• XLogP: 40.17
• TPSA: 398.05 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2725.68
LogP ≤ 5	40.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?

The IUPAC name of 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 159547998) is 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole.

What is the SMILES notation for 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?

The canonical SMILES for 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole is Cc1cc(F)cc(C2CCc3nc(-c4ccccc4)oc3C2)c1.Cc1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.Cc1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.Clc1ccccc1-c1nc2c(o1)CC(c1ccccn1)CC2.[C-]#[N+]c1cccc(-c2nc3c(o2)CC(c2cccc(C)c2)CC3)c1.[C-]#[N+]c1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.[C-]#[N+]c1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.c1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1.c1ccc(-c2nc3c(o2)CC(c2nccs2)CC3)nc1.

What is the InChIKey of 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?

The InChIKey is MFAQFSVXFHYOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O.C20H18FNO.C20H14N4O.C20H17N3O.C19H15N3O.C19H18N2O.C18H15ClN2O.C18H16N2O.C15H13N3OS/c1-14-5-3-6-15(11-14)16-9-10-19-20(13-16)24-21(23-19)17-7-4-8-18(12-17)22-2;1-13-9-16(11-17(21)10-13)15-7-8-18-19(12-15)23-20(22-18)14-5-3-2-4-6-14;1-22-16-6-2-4-14(10-16)20-24-17-8-7-13(11-18(17)25-20)19-15(12-21)5-3-9-23-19;1-13-4-2-5-15(10-13)20-23-17-8-7-14(11-18(17)24-20)19-16(12-21)6-3-9-22-19;1-20-15-6-4-5-14(11-15)19-22-17-9-8-13(12-18(17)23-19)16-7-2-3-10-21-16;1-13-5-4-6-15(11-13)19-21-17-9-8-14(12-18(17)22-19)16-7-2-3-10-20-16;19-14-6-2-1-5-13(14)18-21-16-9-8-12(11-17(16)22-18)15-7-3-4-10-20-15;1-2-6-13(7-3-1)18-20-16-10-9-14(12-17(16)21-18)15-8-4-5-11-19-15;1-2-6-16-12(3-1)14-18-11-5-4-10(9-13(11)19-14)15-17-7-8-20-15/h3-8,11-12,16H,9-10,13H2,1H3;2-6,9-11,15H,7-8,12H2,1H3;2-6,9-10,13H,7-8,11H2;2-6,9-10,14H,7-8,11H2,1H3;2-7,10-11,13H,8-9,12H2;2-7,10-11,14H,8-9,12H2,1H3;1-7,10,12H,8-9,11H2;1-8,11,14H,9-10,12H2;1-3,6-8,10H,4-5,9H2.

What are the key properties of 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?

2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 2725.68 g/mol, XLogP of 40.17, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-fluoro-5-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-isocyanophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-isocyanophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-(3-methylphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-pyridin-2-yl-6-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 159547998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).