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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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

C212H339F2N33O17S — CID 158711986

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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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
SMILESCC(C)(C)CCc1ccccn1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.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)Cn1nc2ccccc2n1.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.C12H19NO.C11H18F2N2.C11H15N3.C11H18N2O2.C11H18N2O.C11H17NO.C11H17N.2C10H16N2O.C10H16N2S.C10H16N2.C10H17NO.6C9H15NO.2C8H14N2O/c1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;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;1-11(2,3)8-7-10-6-4-5-9-12-10;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;8-9H,4-7H2,1-3H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;4-6,9H,7-8H2,1-3H3;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
InChIKeyIIVNMRAKQQTCJD-UHFFFAOYSA-N
MW3692.32 g/mol
LogP56.76
Rot. Bonds34

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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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

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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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 (PubChem CID 158711986) has the molecular formula C212H339F2N33O17S and a molecular weight of 3692.32 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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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.

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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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
PubChem CID158711986
Molecular FormulaC212H339F2N33O17S
Molecular Weight3692.32 g/mol
Exact Mass3689.64
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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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
SMILESCC(C)(C)CCc1ccccn1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.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)Cn1nc2ccccc2n1.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.C12H19NO.C11H18F2N2.C11H15N3.C11H18N2O2.C11H18N2O.C11H17NO.C11H17N.2C10H16N2O.C10H16N2S.C10H16N2.C10H17NO.6C9H15NO.2C8H14N2O/c1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;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;1-11(2,3)8-7-10-6-4-5-9-12-10;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;8-9H,4-7H2,1-3H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;4-6,9H,7-8H2,1-3H3;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
InChIKeyIIVNMRAKQQTCJD-UHFFFAOYSA-N
XLogP56.76
TPSA625.01 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds34
Heavy Atoms265
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003692.32
LogP ≤ 556.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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 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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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?
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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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 (CID 158711986) 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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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.
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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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?
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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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 is CC(C)(C)CCc1ccccn1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.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)Cn1nc2ccccc2n1.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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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?
The InChIKey is IIVNMRAKQQTCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C12H19NO.C11H18F2N2.C11H15N3.C11H18N2O2.C11H18N2O.C11H17NO.C11H17N.2C10H16N2O.C10H16N2S.C10H16N2.C10H17NO.6C9H15NO.2C8H14N2O/c1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;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;1-11(2,3)8-7-10-6-4-5-9-12-10;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;8-9H,4-7H2,1-3H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;4-6,9H,7-8H2,1-3H3;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.
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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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?
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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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 has a molecular weight of 3692.32 g/mol, XLogP of 56.76, 34 rotatable bonds, 0 hydrogen bond donors, and 51 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;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(2,2-dimethylpropyl)benzotriazole;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 is sourced from PubChem (CID 158711986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).