octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole

C68H129N25O6S5 — CID 159102556

About octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole

octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole (PubChem CID 159102556) has the molecular formula C68H129N25O6S5 and a molecular weight of 1553.28 g/mol. Its IUPAC name is octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole.

Molecular Properties

• Compound Name: octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
• PubChem CID: 159102556
• Molecular Formula: C68H129N25O6S5
• Molecular Weight: 1553.28 g/mol
• Exact Mass: 1551.92
• IUPAC Name: octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1nnno1.CC(C)c1nnns1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C5H8N2O.C5H8N2S.C4H7N3O.C4H7N3S.8C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H2N2O.C2H2N2S.CHN3O.CHN3S/c2*1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;8*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-4-3-1;2*1-2-4-5-3-1/h2*3-4H,1-2H3;2*3H,1-2H3;8*4H,1-3H3;1-3H,(H,4,5);3*1-3H;2*1-2H;2*1H
• InChIKey: KDLURGJNAUDYDP-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 403.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 4
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.28
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

The IUPAC name of octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole (CID 159102556) is octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole.

What is the SMILES notation for octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

The canonical SMILES for octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1nnno1.CC(C)c1nnns1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1.

What is the InChIKey of octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

The InChIKey is KDLURGJNAUDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C5H8N2S.C4H7N3O.C4H7N3S.8C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H2N2O.C2H2N2S.CHN3O.CHN3S/c2*1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;8*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-4-3-1;2*1-2-4-5-3-1/h2*3-4H,1-2H3;2*3H,1-2H3;8*4H,1-3H3;1-3H,(H,4,5);3*1-3H;2*1-2H;2*1H.

What are the key properties of octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole has a molecular weight of 1553.28 g/mol, XLogP of 20.70, 4 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole is sourced from PubChem (CID 159102556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).