1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole

C170H292N56O4S4 — CID 158870568

IUPAC1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole
SMILESCC(C)c1ccn(C)n1.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1cnnn1C.CC(C)c1nccn1C.CC(C)c1nnn(C)n1.CC(C)c1nnnn1C.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cn[nH]c1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1cncn1C(C)C.Cc1cnnn1C(C)C.Cc1coc(C(C)C)n1.Cc1conc1C(C)C.Cc1csc(C(C)C)n1.Cc1csnc1C(C)C.Cc1n[nH]nc1C(C)C.Cc1nnnn1C(C)C
InChIInChI=1S/9C7H12N2.4C7H11NO.4C7H11NS.6C6H11N3.3C5H10N4/c1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-4-7-9(3)8-6;1-5(2)9-4-6(3)7-8-9;1-5(2)9-6(3)4-7-8-9;1-4(2)6-5(3)7-9-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-6-8-9(3)7-5;1-4(2)9-5(3)6-7-8-9/h4*4-6H,1-3H3;5*4-5H,1-3H3,(H,8,9);13*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3
InChIKeyJBUCOOVFOSKOCK-UHFFFAOYSA-N
MW3312.86 g/mol
LogP42.18
Rot. Bonds26

About 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole

1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole (PubChem CID 158870568) has the molecular formula C170H292N56O4S4 and a molecular weight of 3312.86 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole
PubChem CID158870568
Molecular FormulaC170H292N56O4S4
Molecular Weight3312.86 g/mol
Exact Mass3310.32
IUPAC Name1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole
SMILESCC(C)c1ccn(C)n1.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1cnnn1C.CC(C)c1nccn1C.CC(C)c1nnn(C)n1.CC(C)c1nnnn1C.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cn[nH]c1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1cncn1C(C)C.Cc1cnnn1C(C)C.Cc1coc(C(C)C)n1.Cc1conc1C(C)C.Cc1csc(C(C)C)n1.Cc1csnc1C(C)C.Cc1n[nH]nc1C(C)C.Cc1nnnn1C(C)C
InChIInChI=1S/9C7H12N2.4C7H11NO.4C7H11NS.6C6H11N3.3C5H10N4/c1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-4-7-9(3)8-6;1-5(2)9-4-6(3)7-8-9;1-5(2)9-6(3)4-7-8-9;1-4(2)6-5(3)7-9-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-6-8-9(3)7-5;1-4(2)9-5(3)6-7-8-9/h4*4-6H,1-3H3;5*4-5H,1-3H3,(H,8,9);13*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3
InChIKeyJBUCOOVFOSKOCK-UHFFFAOYSA-N
XLogP42.18
TPSA696.28 Ų
H-Bond Donors6
H-Bond Acceptors58
Rotatable Bonds26
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003312.86
LogP ≤ 542.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1058

Analyze 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole with MolForge

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Related Compounds

1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;4-methyl-2,3-dihydro-1,2-thiazole;5-methyl-1,2-oxazole;4-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160647161
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;5-methyl-1,2-oxazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 162145101
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 163601460
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 163722623
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 167622328
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 167651110
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
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2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-pyridinyl]-1,3-oxazole
CID 141099595
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-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;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
1,2-dimethylimidazole;1,5-dimethylimidazole;bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,5-dimethylpyrazole);bis(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;ethane
CID 157103557

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole (CID 158870568) is 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole is CC(C)c1ccn(C)n1.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1cnnn1C.CC(C)c1nccn1C.CC(C)c1nnn(C)n1.CC(C)c1nnnn1C.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cn[nH]c1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1cncn1C(C)C.Cc1cnnn1C(C)C.Cc1coc(C(C)C)n1.Cc1conc1C(C)C.Cc1csc(C(C)C)n1.Cc1csnc1C(C)C.Cc1n[nH]nc1C(C)C.Cc1nnnn1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole?
The InChIKey is JBUCOOVFOSKOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/9C7H12N2.4C7H11NO.4C7H11NS.6C6H11N3.3C5H10N4/c1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-4-7-9(3)8-6;1-5(2)9-4-6(3)7-8-9;1-5(2)9-6(3)4-7-8-9;1-4(2)6-5(3)7-9-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-6-8-9(3)7-5;1-4(2)9-5(3)6-7-8-9/h4*4-6H,1-3H3;5*4-5H,1-3H3,(H,8,9);13*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole?
1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole has a molecular weight of 3312.86 g/mol, XLogP of 42.18, 26 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-5-propan-2-yl-1H-pyrazole);5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-1-propan-2-yltriazole is sourced from PubChem (CID 158870568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).