3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone

C150H142N26O24S — CID 160582707

IUPAC3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
SMILESCC1=CC(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)=NC1.Cc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cc1.Cn1cncc1C(=O)N1CCc2nc(COc3ccccc3)oc2C1.O=C(C1=CCC=N1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(CC1=CCC=N1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1ccc2nc[nH]c2c1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1ncc[nH]1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1nccs1)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C21H18N4O3.C21H20N2O3.2C19H19N3O3.C18H18N4O3.C18H17N3O3.C17H16N4O3.C17H15N3O3S/c26-21(14-6-7-16-18(10-14)23-13-22-16)25-9-8-17-19(11-25)28-20(24-17)12-27-15-4-2-1-3-5-15;1-15-7-9-16(10-8-15)21(24)23-12-11-18-19(13-23)26-20(22-18)14-25-17-5-3-2-4-6-17;1-13-9-16(20-10-13)19(23)22-8-7-15-17(11-22)25-18(21-15)12-24-14-5-3-2-4-6-14;23-19(11-14-5-4-9-20-14)22-10-8-16-17(12-22)25-18(21-16)13-24-15-6-2-1-3-7-15;1-21-12-19-9-15(21)18(23)22-8-7-14-16(10-22)25-17(20-14)11-24-13-5-3-2-4-6-13;22-18(15-7-4-9-19-15)21-10-8-14-16(11-21)24-17(20-14)12-23-13-5-2-1-3-6-13;22-17(16-18-7-8-19-16)21-9-6-13-14(10-21)24-15(20-13)11-23-12-4-2-1-3-5-12;21-17(16-18-7-9-24-16)20-8-6-13-14(10-20)23-15(19-13)11-22-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11-12H2,(H,22,23);2-10H,11-14H2,1H3;2-6,9H,7-8,10-12H2,1H3;1-3,5-7,9H,4,8,10-13H2;2-6,9,12H,7-8,10-11H2,1H3;1-3,5-7,9H,4,8,10-12H2;1-5,7-8H,6,9-11H2,(H,18,19);1-5,7,9H,6,8,10-11H2
InChIKeyRBZKRHHDOQLVEI-UHFFFAOYSA-N
MW2725.01 g/mol
LogP22.28
Rot. Bonds33

About 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone

3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 160582707) has the molecular formula C150H142N26O24S and a molecular weight of 2725.01 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID160582707
Molecular FormulaC150H142N26O24S
Molecular Weight2725.01 g/mol
Exact Mass2723.04
IUPAC Name3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
SMILESCC1=CC(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)=NC1.Cc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cc1.Cn1cncc1C(=O)N1CCc2nc(COc3ccccc3)oc2C1.O=C(C1=CCC=N1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(CC1=CCC=N1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1ccc2nc[nH]c2c1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1ncc[nH]1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1nccs1)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C21H18N4O3.C21H20N2O3.2C19H19N3O3.C18H18N4O3.C18H17N3O3.C17H16N4O3.C17H15N3O3S/c26-21(14-6-7-16-18(10-14)23-13-22-16)25-9-8-17-19(11-25)28-20(24-17)12-27-15-4-2-1-3-5-15;1-15-7-9-16(10-8-15)21(24)23-12-11-18-19(13-23)26-20(22-18)14-25-17-5-3-2-4-6-17;1-13-9-16(20-10-13)19(23)22-8-7-15-17(11-22)25-18(21-15)12-24-14-5-3-2-4-6-14;23-19(11-14-5-4-9-20-14)22-10-8-16-17(12-22)25-18(21-16)13-24-15-6-2-1-3-7-15;1-21-12-19-9-15(21)18(23)22-8-7-14-16(10-22)25-17(20-14)11-24-13-5-3-2-4-6-13;22-18(15-7-4-9-19-15)21-10-8-14-16(11-21)24-17(20-14)12-23-13-5-2-1-3-6-13;22-17(16-18-7-8-19-16)21-9-6-13-14(10-21)24-15(20-13)11-23-12-4-2-1-3-5-12;21-17(16-18-7-9-24-16)20-8-6-13-14(10-20)23-15(19-13)11-22-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11-12H2,(H,22,23);2-10H,11-14H2,1H3;2-6,9H,7-8,10-12H2,1H3;1-3,5-7,9H,4,8,10-13H2;2-6,9,12H,7-8,10-11H2,1H3;1-3,5-7,9H,4,8,10-12H2;1-5,7-8H,6,9-11H2,(H,18,19);1-5,7,9H,6,8,10-11H2
InChIKeyRBZKRHHDOQLVEI-UHFFFAOYSA-N
XLogP22.28
TPSA569.71 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002725.01
LogP ≤ 522.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765
CID 163648882
CID 163648882
N-(2-aminophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;methane;4-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 157097282
N-(2-aminophenyl)-4-[[5-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[5-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[5-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 157128925
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671
N-(2-aminophenyl)-4-[[5-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[5-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 157203958
(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide
CID 157250256
carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943
3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;3-[3-(furan-2-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 157341431
3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one
CID 157392843
4,5-diphenyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-2-propan-2-ylimidazole;4-phenyl-2-propan-2-yl-1H-benzimidazole;6-phenyl-2-propan-2-yl-1H-benzimidazole;7-phenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-phenyl-2-propan-2-yl-1H-imidazo[4,5-c]pyridine;7-phenyl-2-propan-2-yl-3H-imidazo[4,5-c]pyridine;5-phenyl-2-propan-2-yl-1H-imidazole;6-phenyl-8-propan-2-yl-7H-purine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;toluene
CID 157412447

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone (CID 160582707) is 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone is CC1=CC(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)=NC1.Cc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cc1.Cn1cncc1C(=O)N1CCc2nc(COc3ccccc3)oc2C1.O=C(C1=CCC=N1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(CC1=CCC=N1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1ccc2nc[nH]c2c1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1ncc[nH]1)N1CCc2nc(COc3ccccc3)oc2C1.O=C(c1nccs1)N1CCc2nc(COc3ccccc3)oc2C1.
What is the InChIKey of 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is RBZKRHHDOQLVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3.C21H20N2O3.2C19H19N3O3.C18H18N4O3.C18H17N3O3.C17H16N4O3.C17H15N3O3S/c26-21(14-6-7-16-18(10-14)23-13-22-16)25-9-8-17-19(11-25)28-20(24-17)12-27-15-4-2-1-3-5-15;1-15-7-9-16(10-8-15)21(24)23-12-11-18-19(13-23)26-20(22-18)14-25-17-5-3-2-4-6-17;1-13-9-16(20-10-13)19(23)22-8-7-15-17(11-22)25-18(21-15)12-24-14-5-3-2-4-6-14;23-19(11-14-5-4-9-20-14)22-10-8-16-17(12-22)25-18(21-16)13-24-15-6-2-1-3-7-15;1-21-12-19-9-15(21)18(23)22-8-7-14-16(10-22)25-17(20-14)11-24-13-5-3-2-4-6-13;22-18(15-7-4-9-19-15)21-10-8-14-16(11-21)24-17(20-14)12-23-13-5-2-1-3-6-13;22-17(16-18-7-8-19-16)21-9-6-13-14(10-21)24-15(20-13)11-23-12-4-2-1-3-5-12;21-17(16-18-7-9-24-16)20-8-6-13-14(10-20)23-15(19-13)11-22-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11-12H2,(H,22,23);2-10H,11-14H2,1H3;2-6,9H,7-8,10-12H2,1H3;1-3,5-7,9H,4,8,10-13H2;2-6,9,12H,7-8,10-11H2,1H3;1-3,5-7,9H,4,8,10-12H2;1-5,7-8H,6,9-11H2,(H,18,19);1-5,7,9H,6,8,10-11H2.
What are the key properties of 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 2725.01 g/mol, XLogP of 22.28, 33 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1H-imidazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methylimidazol-4-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-2-(3H-pyrrol-5-yl)ethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-5-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 160582707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).