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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole

C141H216F2N24O10S — CID 160663636

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole (PubChem CID 160663636) has the molecular formula C141H216F2N24O10S and a molecular weight of 2477.50 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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole.

Molecular Properties

• Compound Name: 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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole
• PubChem CID: 160663636
• Molecular Formula: C141H216F2N24O10S
• Molecular Weight: 2477.50 g/mol
• Exact Mass: 2475.68
• IUPAC Name: 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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole
• SMILES: CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.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.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.Cc1noc(CC(C)(C)C)n1
• InChI: InChI=1S/C14H18N2O.C14H17NO.C12H16N4.C12H19NO.C11H18F2N2.C11H18N2O.C11H17NO.2C10H16N2O.C10H16N2S.C10H17NO.2C8H14N2O/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;1-12(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;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;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;1-10(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;1-7-8(2)12-9(11-7)6-10(3,4)5;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;4-8H,9H2,1-3H3;8-9H,4-7H2,1-3H3;5,7H,6,8H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;3*7H,4-6H2,1-3H3;6H2,1-5H3;2*5H2,1-4H3
• InChIKey: RLZTXSXOKHHOTL-UHFFFAOYSA-N
• XLogP: 37.65
• TPSA: 424.84 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.50
LogP ≤ 5	37.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole?

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole (CID 160663636) 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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole.

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole?

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole is CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.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.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole?

The InChIKey is RLZTXSXOKHHOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C14H17NO.C12H16N4.C12H19NO.C11H18F2N2.C11H18N2O.C11H17NO.2C10H16N2O.C10H16N2S.C10H17NO.2C8H14N2O/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;1-12(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;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;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;1-10(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;1-7-8(2)12-9(11-7)6-10(3,4)5;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;4-8H,9H2,1-3H3;8-9H,4-7H2,1-3H3;5,7H,6,8H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;3*7H,4-6H2,1-3H3;6H2,1-5H3;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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole?

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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole has a molecular weight of 2477.50 g/mol, XLogP of 37.65, 25 rotatable bonds, 0 hydrogen bond donors, and 35 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-(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;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole is sourced from PubChem (CID 160663636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).