2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine

C158H266F3N45O9S3 — CID 167532286

IUPAC2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)NC(C)(C)c1nc(CN(C)C)no1.CC(C)NC(C)(C)c1noc(CN(C)C)n1.CC(C)Nc1ccc(C(F)(F)F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccn1.CC(C)Nc1ccn(C)n1.CC(C)Nc1nc(CO)cs1.CCCn1ccc(NC(C)C)n1.Cc1ccc(NC(C)C)cn1.Cc1ccc(NC(C)C)nc1.Cc1cnc(NC(C)C)s1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nc(C2(NC(C)C)CCCC2)no1.Cc1nnc(C2(NC(C)C)CC2)o1.Cc1nnc(NC(C)C)o1.Cc1noc(C2(NC(C)C)CC2)n1
InChIInChI=1S/C12H19N3O.2C11H22N4O.C11H19N3O.C9H11F3N2.2C9H15N3O.C9H17N3.2C9H14N2.C9H13N.C8H12N2.C8H13NO.C7H13N3.C7H12N2OS.2C7H12N2S.C6H11N3O/c1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-8(2)13-11(3,4)10-12-9(16-14-10)7-15(5)6;1-8(2)13-11(3,4)10-12-9(14-16-10)7-15(5)6;1-8(2)13-11(6-4-5-7-11)10-12-9(3)15-14-10;1-6(2)14-7-3-4-8(13-5-7)9(10,11)12;1-6(2)11-9(4-5-9)8-10-7(3)12-13-8;1-6(2)10-9(4-5-9)8-12-11-7(3)13-8;1-4-6-12-7-5-9(11-12)10-8(2)3;1-7(2)11-9-5-4-8(3)10-6-9;1-7(2)11-9-5-4-8(3)6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-6(2)8-7-4-5-10(3)9-7;1-5(2)8-7-9-6(3-10)4-11-7;1-5(2)8-7-9-6(3)4-10-7;1-5(2)9-7-8-4-6(3)10-7;1-4(2)7-6-9-8-5(3)10-6/h3-4,9-10,14H,5-8H2,1-2H3;2*8,13H,7H2,1-6H3;8,13H,4-7H2,1-3H3;3-6,14H,1-2H3;6,11H,4-5H2,1-3H3;6,10H,4-5H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,10,11);4-7,11H,1-3H3;4-7H,1-3H3,(H,10,11);3-8,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-6H,1-3H3,(H,8,9);4-5,10H,3H2,1-2H3,(H,8,9);2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9)
InChIKeyADDSPGAAQKCEOE-UHFFFAOYSA-N
MW3093.37 g/mol
LogP34.05
Rot. Bonds49

About 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 167532286) has the molecular formula C158H266F3N45O9S3 and a molecular weight of 3093.37 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID167532286
Molecular FormulaC158H266F3N45O9S3
Molecular Weight3093.37 g/mol
Exact Mass3091.09
IUPAC Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)NC(C)(C)c1nc(CN(C)C)no1.CC(C)NC(C)(C)c1noc(CN(C)C)n1.CC(C)Nc1ccc(C(F)(F)F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccn1.CC(C)Nc1ccn(C)n1.CC(C)Nc1nc(CO)cs1.CCCn1ccc(NC(C)C)n1.Cc1ccc(NC(C)C)cn1.Cc1ccc(NC(C)C)nc1.Cc1cnc(NC(C)C)s1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nc(C2(NC(C)C)CCCC2)no1.Cc1nnc(C2(NC(C)C)CC2)o1.Cc1nnc(NC(C)C)o1.Cc1noc(C2(NC(C)C)CC2)n1
InChIInChI=1S/C12H19N3O.2C11H22N4O.C11H19N3O.C9H11F3N2.2C9H15N3O.C9H17N3.2C9H14N2.C9H13N.C8H12N2.C8H13NO.C7H13N3.C7H12N2OS.2C7H12N2S.C6H11N3O/c1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-8(2)13-11(3,4)10-12-9(16-14-10)7-15(5)6;1-8(2)13-11(3,4)10-12-9(14-16-10)7-15(5)6;1-8(2)13-11(6-4-5-7-11)10-12-9(3)15-14-10;1-6(2)14-7-3-4-8(13-5-7)9(10,11)12;1-6(2)11-9(4-5-9)8-10-7(3)12-13-8;1-6(2)10-9(4-5-9)8-12-11-7(3)13-8;1-4-6-12-7-5-9(11-12)10-8(2)3;1-7(2)11-9-5-4-8(3)10-6-9;1-7(2)11-9-5-4-8(3)6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-6(2)8-7-4-5-10(3)9-7;1-5(2)8-7-9-6(3-10)4-11-7;1-5(2)8-7-9-6(3)4-10-7;1-5(2)9-7-8-4-6(3)10-7;1-4(2)7-6-9-8-5(3)10-6/h3-4,9-10,14H,5-8H2,1-2H3;2*8,13H,7H2,1-6H3;8,13H,4-7H2,1-3H3;3-6,14H,1-2H3;6,11H,4-5H2,1-3H3;6,10H,4-5H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,10,11);4-7,11H,1-3H3;4-7H,1-3H3,(H,10,11);3-8,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-6H,1-3H3,(H,8,9);4-5,10H,3H2,1-2H3,(H,8,9);2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9)
InChIKeyADDSPGAAQKCEOE-UHFFFAOYSA-N
XLogP34.05
TPSA641.14 Ų
H-Bond Donors19
H-Bond Acceptors57
Rotatable Bonds49
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003093.37
LogP ≤ 534.05
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1057

Analyze 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine 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

2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 158395729
2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[2-(propan-2-ylamino)phenyl]borinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;3-methyl-N-propan-2-yl-1,2-oxazol-5-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-piperidin-1-yl-N-propan-2-ylpyridin-3-amine;2-[3-(propan-2-ylamino)pyrazol-1-yl]ethanol;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 159450948
4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;5-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine
CID 160948342
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 157370641
CID 157919608
CID 157919608
CID 158106894
CID 158106894
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 158174757
1-Benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 158324394
2-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole;5-methyl-3H-1,2,4-triazole
CID 158510182

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine (CID 167532286) is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine is CC(C)NC(C)(C)c1nc(CN(C)C)no1.CC(C)NC(C)(C)c1noc(CN(C)C)n1.CC(C)Nc1ccc(C(F)(F)F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccn1.CC(C)Nc1ccn(C)n1.CC(C)Nc1nc(CO)cs1.CCCn1ccc(NC(C)C)n1.Cc1ccc(NC(C)C)cn1.Cc1ccc(NC(C)C)nc1.Cc1cnc(NC(C)C)s1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nc(C2(NC(C)C)CCCC2)no1.Cc1nnc(C2(NC(C)C)CC2)o1.Cc1nnc(NC(C)C)o1.Cc1noc(C2(NC(C)C)CC2)n1.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ADDSPGAAQKCEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2C11H22N4O.C11H19N3O.C9H11F3N2.2C9H15N3O.C9H17N3.2C9H14N2.C9H13N.C8H12N2.C8H13NO.C7H13N3.C7H12N2OS.2C7H12N2S.C6H11N3O/c1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-8(2)13-11(3,4)10-12-9(16-14-10)7-15(5)6;1-8(2)13-11(3,4)10-12-9(14-16-10)7-15(5)6;1-8(2)13-11(6-4-5-7-11)10-12-9(3)15-14-10;1-6(2)14-7-3-4-8(13-5-7)9(10,11)12;1-6(2)11-9(4-5-9)8-10-7(3)12-13-8;1-6(2)10-9(4-5-9)8-12-11-7(3)13-8;1-4-6-12-7-5-9(11-12)10-8(2)3;1-7(2)11-9-5-4-8(3)10-6-9;1-7(2)11-9-5-4-8(3)6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-6(2)8-7-4-5-10(3)9-7;1-5(2)8-7-9-6(3-10)4-11-7;1-5(2)8-7-9-6(3)4-10-7;1-5(2)9-7-8-4-6(3)10-7;1-4(2)7-6-9-8-5(3)10-6/h3-4,9-10,14H,5-8H2,1-2H3;2*8,13H,7H2,1-6H3;8,13H,4-7H2,1-3H3;3-6,14H,1-2H3;6,11H,4-5H2,1-3H3;6,10H,4-5H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,10,11);4-7,11H,1-3H3;4-7H,1-3H3,(H,10,11);3-8,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-6H,1-3H3,(H,8,9);4-5,10H,3H2,1-2H3,(H,8,9);2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9).
What are the key properties of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 3093.37 g/mol, XLogP of 34.05, 49 rotatable bonds, 19 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 167532286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).