2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

C38H61N15O2S2 — CID 160859582

About 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 160859582) has the molecular formula C38H61N15O2S2 and a molecular weight of 824.14 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
• PubChem CID: 160859582
• Molecular Formula: C38H61N15O2S2
• Molecular Weight: 824.14 g/mol
• Exact Mass: 823.46
• IUPAC Name: 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
• SMILES: CC(C)c1ccccn1.CC(C)c1cn[nH]n1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1nnco1.CC(C)c1nncs1
• InChI: InChI=1S/C8H11N.2C5H9N3.2C5H8N2O.2C5H8N2S/c1-7(2)8-5-3-4-6-9-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);4*3-4H,1-2H3
• InChIKey: SKHNGNJNJXOTHO-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 225.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.14
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?

The IUPAC name of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 160859582) is 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

What is the SMILES notation for 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?

The canonical SMILES for 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccccn1.CC(C)c1cn[nH]n1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1nnco1.CC(C)c1nncs1.

What is the InChIKey of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?

The InChIKey is SKHNGNJNJXOTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C5H9N3.2C5H8N2O.2C5H8N2S/c1-7(2)8-5-3-4-6-9-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);4*3-4H,1-2H3.

What are the key properties of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?

2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 824.14 g/mol, XLogP of 9.77, 7 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 160859582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).