5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

C100H144N25O12PS2 — CID 160864025

About 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 160864025) has the molecular formula C100H144N25O12PS2 and a molecular weight of 1983.52 g/mol. Its IUPAC name is 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
• PubChem CID: 160864025
• Molecular Formula: C100H144N25O12PS2
• Molecular Weight: 1983.52 g/mol
• Exact Mass: 1982.06
• IUPAC Name: 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1nc(-c2cccc(P(C)(C)=O)c2)no1.CC(C)(C)c1nc(-n2cnc(S(=O)(=O)N3CCOCC3)c2)no1.CC(C)(C)c1nnc(CCc2ccccc2)o1.CC(C)(C)c1nnc(CN2CCC(N)CC2)o1.CC(C)(C)c1nnc(CSc2ccccc2)o1.CC(C)(C)c1noc(-c2ccccc2)n1.CC(C)(C)c1noc(Cn2cccn2)n1.CC(c1nc(C(C)(C)C)no1)N1CCNCC1
• InChI: InChI=1S/C14H19N2O2P.C14H18N2O.C13H19N5O4S.C13H16N2OS.2C12H22N4O.C12H14N2O.C10H14N4O/c1-14(2,3)13-15-12(16-18-13)10-7-6-8-11(9-10)19(4,5)17;1-14(2,3)13-16-15-12(17-13)10-9-11-7-5-4-6-8-11;1-13(2,3)11-15-12(16-22-11)17-8-10(14-9-17)23(19,20)18-4-6-21-7-5-18;1-13(2,3)12-15-14-11(16-12)9-17-10-7-5-4-6-8-10;1-9(16-7-5-13-6-8-16)10-14-11(15-17-10)12(2,3)4;1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16;1-12(2,3)11-13-10(15-14-11)9-7-5-4-6-8-9;1-10(2,3)9-12-8(15-13-9)7-14-6-4-5-11-14/h6-9H,1-5H3;4-8H,9-10H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H,9H2,1-3H3;9,13H,5-8H2,1-4H3;9H,4-8,13H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3
• InChIKey: SKWDFDOVHIBFGF-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 455.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.52
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?

The IUPAC name of 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (CID 160864025) is 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2cccc(P(C)(C)=O)c2)no1.CC(C)(C)c1nc(-n2cnc(S(=O)(=O)N3CCOCC3)c2)no1.CC(C)(C)c1nnc(CCc2ccccc2)o1.CC(C)(C)c1nnc(CN2CCC(N)CC2)o1.CC(C)(C)c1nnc(CSc2ccccc2)o1.CC(C)(C)c1noc(-c2ccccc2)n1.CC(C)(C)c1noc(Cn2cccn2)n1.CC(c1nc(C(C)(C)C)no1)N1CCNCC1.

What is the InChIKey of 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?

The InChIKey is SKWDFDOVHIBFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O2P.C14H18N2O.C13H19N5O4S.C13H16N2OS.2C12H22N4O.C12H14N2O.C10H14N4O/c1-14(2,3)13-15-12(16-18-13)10-7-6-8-11(9-10)19(4,5)17;1-14(2,3)13-16-15-12(17-13)10-9-11-7-5-4-6-8-11;1-13(2,3)11-15-12(16-22-11)17-8-10(14-9-17)23(19,20)18-4-6-21-7-5-18;1-13(2,3)12-15-14-11(16-12)9-17-10-7-5-4-6-8-10;1-9(16-7-5-13-6-8-16)10-14-11(15-17-10)12(2,3)4;1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16;1-12(2,3)11-13-10(15-14-11)9-7-5-4-6-8-9;1-10(2,3)9-12-8(15-13-9)7-14-6-4-5-11-14/h6-9H,1-5H3;4-8H,9-10H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H,9H2,1-3H3;9,13H,5-8H2,1-4H3;9H,4-8,13H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3.

What are the key properties of 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?

5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 1983.52 g/mol, XLogP of 17.94, 18 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;3-tert-butyl-5-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole;3-tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 160864025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).