3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole

C91H137N25O4S5 — CID 157309618

About 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole

3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole (PubChem CID 157309618) has the molecular formula C91H137N25O4S5 and a molecular weight of 1805.60 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole.

Molecular Properties

• Compound Name: 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
• PubChem CID: 157309618
• Molecular Formula: C91H137N25O4S5
• Molecular Weight: 1805.60 g/mol
• Exact Mass: 1803.99
• IUPAC Name: 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
• SMILES: CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncns1
• InChI: InChI=1S/C8H11N.4C7H10N2.2C6H9NO.3C6H9NS.C5H9N3.2C5H8N2O.2C5H8N2S/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h3-7H,1-2H3;4*3-6H,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);4*3-4H,1-2H3
• InChIKey: BCWSFOSWZXKHRT-UHFFFAOYSA-N
• XLogP: 25.64
• TPSA: 377.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.60
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole (CID 157309618) is 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole.

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

The canonical SMILES for 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole is CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncns1.

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

The InChIKey is BCWSFOSWZXKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.4C7H10N2.2C6H9NO.3C6H9NS.C5H9N3.2C5H8N2O.2C5H8N2S/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h3-7H,1-2H3;4*3-6H,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);4*3-4H,1-2H3.

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

3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole has a molecular weight of 1805.60 g/mol, XLogP of 25.64, 15 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 157309618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).