2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone

C173H162ClF4N25O12 — CID 158140151

IUPAC2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone
SMILESCc1cc(F)cc(CN2CCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(Cc4ccccc4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(Cc4ccccn4)nc3C2)c1.Cc1ccc(C(=O)CN2CCc3nc(-c4ccccn4)oc3C2)cc1.Cc1ccc(C(=O)N2CCc3oc(-c4ccc(F)cc4)nc3C2)cc1.Cc1cccc(C(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1.Cc1cccc(CN2CCc3nc(-c4ccccn4)oc3C2)c1.Cc1cccc(CN2CCc3oc(-c4ccccn4)nc3C2)c1.Clc1cccc(-c2nc3c(o2)CCN(Cc2ccccn2)C3)c1
InChIInChI=1S/C20H17FN2O2.C20H19FN2O.C20H19N3O2.2C19H18FN3O.C19H17N3O2.2C19H19N3O.C18H16ClN3O/c1-13-2-4-15(5-3-13)20(24)23-11-10-18-17(12-23)22-19(25-18)14-6-8-16(21)9-7-14;1-14-9-16(21)12-17(10-14)23-8-7-19-18(13-23)22-20(24-19)11-15-5-3-2-4-6-15;1-14-5-7-15(8-6-14)18(24)12-23-11-9-16-19(13-23)25-20(22-16)17-4-2-3-10-21-17;1-13-8-14(20)10-16(9-13)23-7-5-18-17(12-23)22-19(24-18)11-15-4-2-3-6-21-15;1-13-8-14(10-15(20)9-13)11-23-7-5-18-17(12-23)22-19(24-18)16-4-2-3-6-21-16;1-13-5-4-6-14(11-13)19(23)22-10-8-15-17(12-22)24-18(21-15)16-7-2-3-9-20-16;1-14-5-4-6-15(11-14)12-22-10-8-16-18(13-22)23-19(21-16)17-7-2-3-9-20-17;1-14-5-4-6-15(11-14)12-22-10-8-18-17(13-22)21-19(23-18)16-7-2-3-9-20-16;19-14-5-3-4-13(10-14)18-21-16-12-22(9-7-17(16)23-18)11-15-6-1-2-8-20-15/h2-9H,10-12H2,1H3;2-6,9-10,12H,7-8,11,13H2,1H3;2-8,10H,9,11-13H2,1H3;2*2-4,6,8-10H,5,7,11-12H2,1H3;2-7,9,11H,8,10,12H2,1H3;2*2-7,9,11H,8,10,12-13H2,1H3;1-6,8,10H,7,9,11-12H2
InChIKeyFTVICKXHPXCWFU-UHFFFAOYSA-N
MW2894.81 g/mol
LogP33.36
Rot. Bonds26

About 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone

2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone (PubChem CID 158140151) has the molecular formula C173H162ClF4N25O12 and a molecular weight of 2894.81 g/mol. Its IUPAC name is 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone
PubChem CID158140151
Molecular FormulaC173H162ClF4N25O12
Molecular Weight2894.81 g/mol
Exact Mass2892.25
IUPAC Name2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone
SMILESCc1cc(F)cc(CN2CCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(Cc4ccccc4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(Cc4ccccn4)nc3C2)c1.Cc1ccc(C(=O)CN2CCc3nc(-c4ccccn4)oc3C2)cc1.Cc1ccc(C(=O)N2CCc3oc(-c4ccc(F)cc4)nc3C2)cc1.Cc1cccc(C(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1.Cc1cccc(CN2CCc3nc(-c4ccccn4)oc3C2)c1.Cc1cccc(CN2CCc3oc(-c4ccccn4)nc3C2)c1.Clc1cccc(-c2nc3c(o2)CCN(Cc2ccccn2)C3)c1
InChIInChI=1S/C20H17FN2O2.C20H19FN2O.C20H19N3O2.2C19H18FN3O.C19H17N3O2.2C19H19N3O.C18H16ClN3O/c1-13-2-4-15(5-3-13)20(24)23-11-10-18-17(12-23)22-19(25-18)14-6-8-16(21)9-7-14;1-14-9-16(21)12-17(10-14)23-8-7-19-18(13-23)22-20(24-19)11-15-5-3-2-4-6-15;1-14-5-7-15(8-6-14)18(24)12-23-11-9-16-19(13-23)25-20(22-16)17-4-2-3-10-21-17;1-13-8-14(20)10-16(9-13)23-7-5-18-17(12-23)22-19(24-18)11-15-4-2-3-6-21-15;1-13-8-14(10-15(20)9-13)11-23-7-5-18-17(12-23)22-19(24-18)16-4-2-3-6-21-16;1-13-5-4-6-14(11-13)19(23)22-10-8-15-17(12-22)24-18(21-15)16-7-2-3-9-20-16;1-14-5-4-6-15(11-14)12-22-10-8-16-18(13-22)23-19(21-16)17-7-2-3-9-20-17;1-14-5-4-6-15(11-14)12-22-10-8-18-17(13-22)21-19(23-18)16-7-2-3-9-20-16;19-14-5-3-4-13(10-14)18-21-16-12-22(9-7-17(16)23-18)11-15-6-1-2-8-20-15/h2-9H,10-12H2,1H3;2-6,9-10,12H,7-8,11,13H2,1H3;2-8,10H,9,11-13H2,1H3;2*2-4,6,8-10H,5,7,11-12H2,1H3;2-7,9,11H,8,10,12H2,1H3;2*2-7,9,11H,8,10,12-13H2,1H3;1-6,8,10H,7,9,11-12H2
InChIKeyFTVICKXHPXCWFU-UHFFFAOYSA-N
XLogP33.36
TPSA404.87 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002894.81
LogP ≤ 533.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone?
The IUPAC name of 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone (CID 158140151) is 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone.
What is the SMILES notation for 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone?
The canonical SMILES for 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone is Cc1cc(F)cc(CN2CCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(Cc4ccccc4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(Cc4ccccn4)nc3C2)c1.Cc1ccc(C(=O)CN2CCc3nc(-c4ccccn4)oc3C2)cc1.Cc1ccc(C(=O)N2CCc3oc(-c4ccc(F)cc4)nc3C2)cc1.Cc1cccc(C(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1.Cc1cccc(CN2CCc3nc(-c4ccccn4)oc3C2)c1.Cc1cccc(CN2CCc3oc(-c4ccccn4)nc3C2)c1.Clc1cccc(-c2nc3c(o2)CCN(Cc2ccccn2)C3)c1.
What is the InChIKey of 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone?
The InChIKey is FTVICKXHPXCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2.C20H19FN2O.C20H19N3O2.2C19H18FN3O.C19H17N3O2.2C19H19N3O.C18H16ClN3O/c1-13-2-4-15(5-3-13)20(24)23-11-10-18-17(12-23)22-19(25-18)14-6-8-16(21)9-7-14;1-14-9-16(21)12-17(10-14)23-8-7-19-18(13-23)22-20(24-19)11-15-5-3-2-4-6-15;1-14-5-7-15(8-6-14)18(24)12-23-11-9-16-19(13-23)25-20(22-16)17-4-2-3-10-21-17;1-13-8-14(20)10-16(9-13)23-7-5-18-17(12-23)22-19(24-18)11-15-4-2-3-6-21-15;1-13-8-14(10-15(20)9-13)11-23-7-5-18-17(12-23)22-19(24-18)16-4-2-3-6-21-16;1-13-5-4-6-14(11-13)19(23)22-10-8-15-17(12-22)24-18(21-15)16-7-2-3-9-20-16;1-14-5-4-6-15(11-14)12-22-10-8-16-18(13-22)23-19(21-16)17-7-2-3-9-20-17;1-14-5-4-6-15(11-14)12-22-10-8-18-17(13-22)21-19(23-18)16-7-2-3-9-20-16;19-14-5-3-4-13(10-14)18-21-16-12-22(9-7-17(16)23-18)11-15-6-1-2-8-20-15/h2-9H,10-12H2,1H3;2-6,9-10,12H,7-8,11,13H2,1H3;2-8,10H,9,11-13H2,1H3;2*2-4,6,8-10H,5,7,11-12H2,1H3;2-7,9,11H,8,10,12H2,1H3;2*2-7,9,11H,8,10,12-13H2,1H3;1-6,8,10H,7,9,11-12H2.
What are the key properties of 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone?
2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone has a molecular weight of 2894.81 g/mol, XLogP of 33.36, 26 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(3-chlorophenyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-methylphenyl)methanone;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-[(3-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;(3-methylphenyl)-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methanone is sourced from PubChem (CID 158140151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).