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

C174H159Cl2FN20O11 — CID 157218969

IUPAC2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCOc1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.COc1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.Cc1cc(F)cc(C2Cc3oc(-c4ccccn4)nc3C(C)C2)c1.Cc1ccc(-c2nc3c(o2)CC(c2cccc(C)c2)CC3)nc1.Cc1cccc(C2CCc3nc(-c4cc(C)ccn4)oc3C2)c1.Cc1cccc(C2CCc3nc(-c4cccnc4)oc3C2)c1.Cc1cccc(C2CCc3nc(-c4ccncc4)oc3C2)c1.Clc1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1.N#Cc1cccnc1C1CCc2nc(-c3ccccc3Cl)oc2C1
InChIInChI=1S/C20H19FN2O.C20H17N3O2.2C20H20N2O.C19H14ClN3O.C19H18N2O2.2C19H18N2O.C18H15ClN2O/c1-12-7-14(10-16(21)8-12)15-9-13(2)19-18(11-15)24-20(23-19)17-5-3-4-6-22-17;1-24-16-6-2-4-14(10-16)20-23-17-8-7-13(11-18(17)25-20)19-15(12-21)5-3-9-22-19;1-13-4-3-5-15(10-13)16-7-9-17-19(11-16)23-20(22-17)18-8-6-14(2)12-21-18;1-13-4-3-5-15(10-13)16-6-7-17-19(12-16)23-20(22-17)18-11-14(2)8-9-21-18;20-15-6-2-1-5-14(15)19-23-16-8-7-12(10-17(16)24-19)18-13(11-21)4-3-9-22-18;1-22-15-6-4-5-14(11-15)19-21-17-9-8-13(12-18(17)23-19)16-7-2-3-10-20-16;1-13-4-2-5-14(10-13)15-7-8-17-18(11-15)22-19(21-17)16-6-3-9-20-12-16;1-13-3-2-4-15(11-13)16-5-6-17-18(12-16)22-19(21-17)14-7-9-20-10-8-14;19-14-7-4-12(5-8-14)18-21-16-9-6-13(11-17(16)22-18)15-3-1-2-10-20-15/h3-8,10,13,15H,9,11H2,1-2H3;2-6,9-10,13H,7-8,11H2,1H3;3-6,8,10,12,16H,7,9,11H2,1-2H3;3-5,8-11,16H,6-7,12H2,1-2H3;1-6,9,12H,7-8,10H2;2-7,10-11,13H,8-9,12H2,1H3;2-6,9-10,12,15H,7-8,11H2,1H3;2-4,7-11,16H,5-6,12H2,1H3;1-5,7-8,10,13H,6,9,11H2
InChIKeyASTIMNULKOLTQQ-UHFFFAOYSA-N
MW2796.22 g/mol
LogP40.01
Rot. Bonds20

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

2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 157218969) has the molecular formula C174H159Cl2FN20O11 and a molecular weight of 2796.22 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID157218969
Molecular FormulaC174H159Cl2FN20O11
Molecular Weight2796.22 g/mol
Exact Mass2793.19
IUPAC Name2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCOc1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.COc1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.Cc1cc(F)cc(C2Cc3oc(-c4ccccn4)nc3C(C)C2)c1.Cc1ccc(-c2nc3c(o2)CC(c2cccc(C)c2)CC3)nc1.Cc1cccc(C2CCc3nc(-c4cc(C)ccn4)oc3C2)c1.Cc1cccc(C2CCc3nc(-c4cccnc4)oc3C2)c1.Cc1cccc(C2CCc3nc(-c4ccncc4)oc3C2)c1.Clc1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1.N#Cc1cccnc1C1CCc2nc(-c3ccccc3Cl)oc2C1
InChIInChI=1S/C20H19FN2O.C20H17N3O2.2C20H20N2O.C19H14ClN3O.C19H18N2O2.2C19H18N2O.C18H15ClN2O/c1-12-7-14(10-16(21)8-12)15-9-13(2)19-18(11-15)24-20(23-19)17-5-3-4-6-22-17;1-24-16-6-2-4-14(10-16)20-23-17-8-7-13(11-18(17)25-20)19-15(12-21)5-3-9-22-19;1-13-4-3-5-15(10-13)16-7-9-17-19(11-16)23-20(22-17)18-8-6-14(2)12-21-18;1-13-4-3-5-15(10-13)16-6-7-17-19(12-16)23-20(22-17)18-11-14(2)8-9-21-18;20-15-6-2-1-5-14(15)19-23-16-8-7-12(10-17(16)24-19)18-13(11-21)4-3-9-22-18;1-22-15-6-4-5-14(11-15)19-21-17-9-8-13(12-18(17)23-19)16-7-2-3-10-20-16;1-13-4-2-5-14(10-13)15-7-8-17-18(11-15)22-19(21-17)16-6-3-9-20-12-16;1-13-3-2-4-15(11-13)16-5-6-17-18(12-16)22-19(21-17)14-7-9-20-10-8-14;19-14-7-4-12(5-8-14)18-21-16-9-6-13(11-17(16)22-18)15-3-1-2-10-20-15/h3-8,10,13,15H,9,11H2,1-2H3;2-6,9-10,13H,7-8,11H2,1H3;3-6,8,10,12,16H,7,9,11H2,1-2H3;3-5,8-11,16H,6-7,12H2,1-2H3;1-6,9,12H,7-8,10H2;2-7,10-11,13H,8-9,12H2,1H3;2-6,9-10,12,15H,7-8,11H2,1H3;2-4,7-11,16H,5-6,12H2,1H3;1-5,7-8,10,13H,6,9,11H2
InChIKeyASTIMNULKOLTQQ-UHFFFAOYSA-N
XLogP40.01
TPSA416.32 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.22
LogP ≤ 540.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 157218969) is 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is COc1cccc(-c2nc3c(o2)CC(c2ccccn2)CC3)c1.COc1cccc(-c2nc3c(o2)CC(c2ncccc2C#N)CC3)c1.Cc1cc(F)cc(C2Cc3oc(-c4ccccn4)nc3C(C)C2)c1.Cc1ccc(-c2nc3c(o2)CC(c2cccc(C)c2)CC3)nc1.Cc1cccc(C2CCc3nc(-c4cc(C)ccn4)oc3C2)c1.Cc1cccc(C2CCc3nc(-c4cccnc4)oc3C2)c1.Cc1cccc(C2CCc3nc(-c4ccncc4)oc3C2)c1.Clc1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1.N#Cc1cccnc1C1CCc2nc(-c3ccccc3Cl)oc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is ASTIMNULKOLTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O.C20H17N3O2.2C20H20N2O.C19H14ClN3O.C19H18N2O2.2C19H18N2O.C18H15ClN2O/c1-12-7-14(10-16(21)8-12)15-9-13(2)19-18(11-15)24-20(23-19)17-5-3-4-6-22-17;1-24-16-6-2-4-14(10-16)20-23-17-8-7-13(11-18(17)25-20)19-15(12-21)5-3-9-22-19;1-13-4-3-5-15(10-13)16-7-9-17-19(11-16)23-20(22-17)18-8-6-14(2)12-21-18;1-13-4-3-5-15(10-13)16-6-7-17-19(12-16)23-20(22-17)18-11-14(2)8-9-21-18;20-15-6-2-1-5-14(15)19-23-16-8-7-12(10-17(16)24-19)18-13(11-21)4-3-9-22-18;1-22-15-6-4-5-14(11-15)19-21-17-9-8-13(12-18(17)23-19)16-7-2-3-10-20-16;1-13-4-2-5-14(10-13)15-7-8-17-18(11-15)22-19(21-17)16-6-3-9-20-12-16;1-13-3-2-4-15(11-13)16-5-6-17-18(12-16)22-19(21-17)14-7-9-20-10-8-14;19-14-7-4-12(5-8-14)18-21-16-9-6-13(11-17(16)22-18)15-3-1-2-10-20-15/h3-8,10,13,15H,9,11H2,1-2H3;2-6,9-10,13H,7-8,11H2,1H3;3-6,8,10,12,16H,7,9,11H2,1-2H3;3-5,8-11,16H,6-7,12H2,1-2H3;1-6,9,12H,7-8,10H2;2-7,10-11,13H,8-9,12H2,1H3;2-6,9-10,12,15H,7-8,11H2,1H3;2-4,7-11,16H,5-6,12H2,1H3;1-5,7-8,10,13H,6,9,11H2.
What are the key properties of 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 2796.22 g/mol, XLogP of 40.01, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-fluoro-5-methylphenyl)-4-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-(3-methoxyphenyl)-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;2-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]pyridine-3-carbonitrile;6-(3-methylphenyl)-2-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazole;6-(3-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 157218969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).