cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole

C203H338N36O4S — CID 158256478

IUPACcumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole
SMILESC.C.C.C.C.C.C.C.C.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCCCC2)c1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncns1.Cc1nnc(C(C)C)o1
InChIInChI=1S/4C14H22N2.C13H21N3.3C13H20N2.C9H12.2C8H11N.2C7H12N2.C6H10N2O.3C6H10N2.3C6H9NO.C5H8N2S.9CH4/c1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-5-6-13(14-9-12)10-15-7-3-4-8-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;;;;;;;;;/h3*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3;9*1H4
InChIKeyGHIOULJYIVIEIL-UHFFFAOYSA-N
MW3379.25 g/mol
LogP52.94
Rot. Bonds37

About cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole

cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 158256478) has the molecular formula C203H338N36O4S and a molecular weight of 3379.25 g/mol. Its IUPAC name is cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Namecumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole
PubChem CID158256478
Molecular FormulaC203H338N36O4S
Molecular Weight3379.25 g/mol
Exact Mass3376.71
IUPAC Namecumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole
SMILESC.C.C.C.C.C.C.C.C.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCCCC2)c1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncns1.Cc1nnc(C(C)C)o1
InChIInChI=1S/4C14H22N2.C13H21N3.3C13H20N2.C9H12.2C8H11N.2C7H12N2.C6H10N2O.3C6H10N2.3C6H9NO.C5H8N2S.9CH4/c1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-5-6-13(14-9-12)10-15-7-3-4-8-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;;;;;;;;;/h3*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3;9*1H4
InChIKeyGHIOULJYIVIEIL-UHFFFAOYSA-N
XLogP52.94
TPSA432.18 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003379.25
LogP ≤ 552.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Analyze cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 157162034
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
2-tert-butyl-4H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;bis(5-tert-butyl-2H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butylthiadiazole;5-tert-butylthiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157200526
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-pyrazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-[(E)-3-methylbut-1-enyl]furan;2-[(E)-3-methylbut-1-enyl]pyridine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-4H-triazol-3-ium;2-propan-2-ylpyrazine;2-propan-2-ylpyridine
CID 157262008
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole
CID 157323699
cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,2,4-thiadiazole
CID 157356960
1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-3H-pyrrole;bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157360383
methane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
CID 157360731
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 157477533
propan-2-ylcyclohexane;1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 157534904

Frequently Asked Questions

What is the IUPAC name of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole (CID 158256478) is cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole is C.C.C.C.C.C.C.C.C.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCCCC2)c1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncns1.Cc1nnc(C(C)C)o1.
What is the InChIKey of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is GHIOULJYIVIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H22N2.C13H21N3.3C13H20N2.C9H12.2C8H11N.2C7H12N2.C6H10N2O.3C6H10N2.3C6H9NO.C5H8N2S.9CH4/c1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-5-6-13(14-9-12)10-15-7-3-4-8-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;;;;;;;;;/h3*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3;9*1H4.
What are the key properties of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole?
cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 3379.25 g/mol, XLogP of 52.94, 37 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 158256478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).