2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

C187H211F6N49O23 — CID 159625038

IUPAC2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCCC1CCC(c2nc(C)no2)CC1.COc1ccc(-c2nc(C)no2)cn1.C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Cc1cc(-c2nc(C)no2)ccn1.Cc1ccc(-c2cn[nH]c2)cc1.Cc1ccc(-c2nc(C)no2)cc1.Cc1cccc(-c2nc(C)no2)c1.Cc1noc(-c2cc(C(F)(F)F)ccn2)n1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CCC(C)(F)CC2)n1.Cc1noc(C2CCC(C)CC2)n1.Cc1noc(C2CCCC(N)C2)n1.Cc1noc(C2CCN(C(=O)C(C)(F)F)CC2)n1
InChIInChI=1S/C12H10N4O.C12H13NO2.C11H15F2N3O2.C11H9N3O.2C11H18N2O.C10H15FN2O.C10H8N2O3.C10H16N2O.2C10H10N2O.C10H10N2.C9H6F3N3O.C9H9N3O2.C9H9N3O.C9H15N3O.2C8H7N3O.C7H6N4O/c1-9-14-12(17-15-9)10-2-4-11(5-3-10)16-7-6-13-8-16;1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11;1-7-14-9(18-15-7)8-3-5-16(6-4-8)10(17)11(2,12)13;1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-3-9-4-6-10(7-5-9)11-12-8(2)13-14-11;1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8;1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13;2*1-7-3-5-9(6-4-7)10-11-8(2)12-13-10;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-8-2-4-9(5-3-8)10-6-11-12-7-10;1-5-14-8(16-15-5)7-4-6(2-3-13-7)9(10,11)12;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;1-6-5-8(3-4-10-6)9-11-7(2)12-13-9;1-6-11-9(13-12-6)7-3-2-4-8(10)5-7;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-10-7(12-11-5)6-2-8-4-9-3-6/h2-8H,1H3;2-5,7-8,13H,6H2,1H3,(H,14,15);8H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;9-10H,3-7H2,1-2H3;8H,3-6H2,1-2H3;2-6H,1H3;7,9H,3-6H2,1-2H3;2*3-6H,1-2H3;2-7H,1H3,(H,11,12);2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;7-8H,2-5,10H2,1H3;2*2-5H,1H3;2-4H,1H3/t;8-;;;;;;;;;;;;;;;;;/m.0................./s1
InChIKeyMOJNAJVLINUFBJ-AYSNMVAUSA-N
MW3627.05 g/mol
LogP39.45
Rot. Bonds27

About 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 159625038) has the molecular formula C187H211F6N49O23 and a molecular weight of 3627.05 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID159625038
Molecular FormulaC187H211F6N49O23
Molecular Weight3627.05 g/mol
Exact Mass3624.68
IUPAC Name2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCCC1CCC(c2nc(C)no2)CC1.COc1ccc(-c2nc(C)no2)cn1.C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Cc1cc(-c2nc(C)no2)ccn1.Cc1ccc(-c2cn[nH]c2)cc1.Cc1ccc(-c2nc(C)no2)cc1.Cc1cccc(-c2nc(C)no2)c1.Cc1noc(-c2cc(C(F)(F)F)ccn2)n1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CCC(C)(F)CC2)n1.Cc1noc(C2CCC(C)CC2)n1.Cc1noc(C2CCCC(N)C2)n1.Cc1noc(C2CCN(C(=O)C(C)(F)F)CC2)n1
InChIInChI=1S/C12H10N4O.C12H13NO2.C11H15F2N3O2.C11H9N3O.2C11H18N2O.C10H15FN2O.C10H8N2O3.C10H16N2O.2C10H10N2O.C10H10N2.C9H6F3N3O.C9H9N3O2.C9H9N3O.C9H15N3O.2C8H7N3O.C7H6N4O/c1-9-14-12(17-15-9)10-2-4-11(5-3-10)16-7-6-13-8-16;1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11;1-7-14-9(18-15-7)8-3-5-16(6-4-8)10(17)11(2,12)13;1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-3-9-4-6-10(7-5-9)11-12-8(2)13-14-11;1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8;1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13;2*1-7-3-5-9(6-4-7)10-11-8(2)12-13-10;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-8-2-4-9(5-3-8)10-6-11-12-7-10;1-5-14-8(16-15-5)7-4-6(2-3-13-7)9(10,11)12;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;1-6-5-8(3-4-10-6)9-11-7(2)12-13-9;1-6-11-9(13-12-6)7-3-2-4-8(10)5-7;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-10-7(12-11-5)6-2-8-4-9-3-6/h2-8H,1H3;2-5,7-8,13H,6H2,1H3,(H,14,15);8H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;9-10H,3-7H2,1-2H3;8H,3-6H2,1-2H3;2-6H,1H3;7,9H,3-6H2,1-2H3;2*3-6H,1-2H3;2-7H,1H3,(H,11,12);2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;7-8H,2-5,10H2,1H3;2*2-5H,1H3;2-4H,1H3/t;8-;;;;;;;;;;;;;;;;;/m.0................./s1
InChIKeyMOJNAJVLINUFBJ-AYSNMVAUSA-N
XLogP39.45
TPSA945.68 Ų
H-Bond Donors4
H-Bond Acceptors68
Rotatable Bonds27
Heavy Atoms265
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003627.05
LogP ≤ 539.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 159625038) is 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is CCC1CCC(c2nc(C)no2)CC1.COc1ccc(-c2nc(C)no2)cn1.C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Cc1cc(-c2nc(C)no2)ccn1.Cc1ccc(-c2cn[nH]c2)cc1.Cc1ccc(-c2nc(C)no2)cc1.Cc1cccc(-c2nc(C)no2)c1.Cc1noc(-c2cc(C(F)(F)F)ccn2)n1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CCC(C)(F)CC2)n1.Cc1noc(C2CCC(C)CC2)n1.Cc1noc(C2CCCC(N)C2)n1.Cc1noc(C2CCN(C(=O)C(C)(F)F)CC2)n1.
What is the InChIKey of 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is MOJNAJVLINUFBJ-AYSNMVAUSA-N. The full InChI is InChI=1S/C12H10N4O.C12H13NO2.C11H15F2N3O2.C11H9N3O.2C11H18N2O.C10H15FN2O.C10H8N2O3.C10H16N2O.2C10H10N2O.C10H10N2.C9H6F3N3O.C9H9N3O2.C9H9N3O.C9H15N3O.2C8H7N3O.C7H6N4O/c1-9-14-12(17-15-9)10-2-4-11(5-3-10)16-7-6-13-8-16;1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11;1-7-14-9(18-15-7)8-3-5-16(6-4-8)10(17)11(2,12)13;1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-3-9-4-6-10(7-5-9)11-12-8(2)13-14-11;1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8;1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13;2*1-7-3-5-9(6-4-7)10-11-8(2)12-13-10;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-8-2-4-9(5-3-8)10-6-11-12-7-10;1-5-14-8(16-15-5)7-4-6(2-3-13-7)9(10,11)12;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;1-6-5-8(3-4-10-6)9-11-7(2)12-13-9;1-6-11-9(13-12-6)7-3-2-4-8(10)5-7;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-10-7(12-11-5)6-2-8-4-9-3-6/h2-8H,1H3;2-5,7-8,13H,6H2,1H3,(H,14,15);8H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;9-10H,3-7H2,1-2H3;8H,3-6H2,1-2H3;2-6H,1H3;7,9H,3-6H2,1-2H3;2*3-6H,1-2H3;2-7H,1H3,(H,11,12);2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;7-8H,2-5,10H2,1H3;2*2-5H,1H3;2-4H,1H3/t;8-;;;;;;;;;;;;;;;;;/m.0................./s1.
What are the key properties of 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 3627.05 g/mol, XLogP of 39.45, 27 rotatable bonds, 4 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-ethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(4-methylcyclohexyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159625038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).