3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane

C229H357F3N36O19S — CID 158299830

IUPAC3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
SMILESC.CC(C)(C)CCn1ccc(C(F)(F)F)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1coc(C2CC2)n1.CC(C)(C)Cc1coc(C2CCC2)n1.CC(C)(C)Cc1nc(Cc2ccccc2)no1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(C2CC2)n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)nc1.Cc1cnc(CC(C)(C)C)o1.Cc1coc(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)co1.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.Cc1ncc(CC(C)(C)C)o1.Cc1noc(CC(C)(C)C)n1
InChIInChI=1S/C14H18N2O.C14H17NO.C13H16N2O.C12H16N4.C12H19NO.C11H18N2O2.C11H18N2O.C11H17NO.C10H15F3N2.2C10H16N2O.C10H16N2S.C10H16N2.C10H17NO.6C9H15NO.2C8H14N2O.CH4/c1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-14(2,3)10-12-9-13(15-16-12)11-7-5-4-6-8-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-11(2,3)6-9-7-13-10(12-9)8-4-5-8;1-9(2,3)5-7-15-6-4-8(14-15)10(11,12)13;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)6-8-11-9(13-12-8)7-4-5-7;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-8-6-11-9(12-7-8)5-10(2,3)4;1-7-8(2)12-9(11-7)6-10(3,4)5;1-7-10-8(6-11-7)5-9(2,3)4;1-7-10-6-8(11-7)5-9(2,3)4;1-7-6-11-8(10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;/h4-8H,9-10H2,1-3H3;4-9H,10H2,1-3H3;2*4-8H,9H2,1-3H3;8-9H,4-7H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;4,6H,5,7H2,1-3H3;3*7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;6H2,1-5H3;4*6H,5H2,1-4H3;2*5H,6H2,1-4H3;2*5H2,1-4H3;1H4
InChIKeyGMJCJGQMWWDJEP-UHFFFAOYSA-N
MW4007.67 g/mol
LogP61.41
Rot. Bonds36

About 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane

3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane (PubChem CID 158299830) has the molecular formula C229H357F3N36O19S and a molecular weight of 4007.67 g/mol. Its IUPAC name is 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane.

Molecular Properties

Compound Name3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
PubChem CID158299830
Molecular FormulaC229H357F3N36O19S
Molecular Weight4007.67 g/mol
Exact Mass4004.77
IUPAC Name3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
SMILESC.CC(C)(C)CCn1ccc(C(F)(F)F)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1coc(C2CC2)n1.CC(C)(C)Cc1coc(C2CCC2)n1.CC(C)(C)Cc1nc(Cc2ccccc2)no1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(C2CC2)n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)nc1.Cc1cnc(CC(C)(C)C)o1.Cc1coc(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)co1.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.Cc1ncc(CC(C)(C)C)o1.Cc1noc(CC(C)(C)C)n1
InChIInChI=1S/C14H18N2O.C14H17NO.C13H16N2O.C12H16N4.C12H19NO.C11H18N2O2.C11H18N2O.C11H17NO.C10H15F3N2.2C10H16N2O.C10H16N2S.C10H16N2.C10H17NO.6C9H15NO.2C8H14N2O.CH4/c1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-14(2,3)10-12-9-13(15-16-12)11-7-5-4-6-8-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-11(2,3)6-9-7-13-10(12-9)8-4-5-8;1-9(2,3)5-7-15-6-4-8(14-15)10(11,12)13;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)6-8-11-9(13-12-8)7-4-5-7;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-8-6-11-9(12-7-8)5-10(2,3)4;1-7-8(2)12-9(11-7)6-10(3,4)5;1-7-10-8(6-11-7)5-9(2,3)4;1-7-10-6-8(11-7)5-9(2,3)4;1-7-6-11-8(10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;/h4-8H,9-10H2,1-3H3;4-9H,10H2,1-3H3;2*4-8H,9H2,1-3H3;8-9H,4-7H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;4,6H,5,7H2,1-3H3;3*7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;6H2,1-5H3;4*6H,5H2,1-4H3;2*5H,6H2,1-4H3;2*5H2,1-4H3;1H4
InChIKeyGMJCJGQMWWDJEP-UHFFFAOYSA-N
XLogP61.41
TPSA689.96 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds36
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004007.67
LogP ≤ 561.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
The IUPAC name of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane (CID 158299830) is 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane.
What is the SMILES notation for 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
The canonical SMILES for 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane is C.CC(C)(C)CCn1ccc(C(F)(F)F)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1coc(C2CC2)n1.CC(C)(C)Cc1coc(C2CCC2)n1.CC(C)(C)Cc1nc(Cc2ccccc2)no1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(C2CC2)n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)nc1.Cc1cnc(CC(C)(C)C)o1.Cc1coc(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)co1.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.Cc1ncc(CC(C)(C)C)o1.Cc1noc(CC(C)(C)C)n1.
What is the InChIKey of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
The InChIKey is GMJCJGQMWWDJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C14H17NO.C13H16N2O.C12H16N4.C12H19NO.C11H18N2O2.C11H18N2O.C11H17NO.C10H15F3N2.2C10H16N2O.C10H16N2S.C10H16N2.C10H17NO.6C9H15NO.2C8H14N2O.CH4/c1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-14(2,3)10-12-9-13(15-16-12)11-7-5-4-6-8-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-11(2,3)6-9-7-13-10(12-9)8-4-5-8;1-9(2,3)5-7-15-6-4-8(14-15)10(11,12)13;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)6-8-11-9(13-12-8)7-4-5-7;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-8-6-11-9(12-7-8)5-10(2,3)4;1-7-8(2)12-9(11-7)6-10(3,4)5;1-7-10-8(6-11-7)5-9(2,3)4;1-7-10-6-8(11-7)5-9(2,3)4;1-7-6-11-8(10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;/h4-8H,9-10H2,1-3H3;4-9H,10H2,1-3H3;2*4-8H,9H2,1-3H3;8-9H,4-7H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;4,6H,5,7H2,1-3H3;3*7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;6H2,1-5H3;4*6H,5H2,1-4H3;2*5H,6H2,1-4H3;2*5H2,1-4H3;1H4.
What are the key properties of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane has a molecular weight of 4007.67 g/mol, XLogP of 61.41, 36 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane is sourced from PubChem (CID 158299830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).