2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C156H249N44O7S9+ — CID 159792981

About 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 159792981) has the molecular formula C156H249N44O7S9+ and a molecular weight of 3141.61 g/mol. Its IUPAC name is 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• PubChem CID: 159792981
• Molecular Formula: C156H249N44O7S9+
• Molecular Weight: 3141.61 g/mol
• Exact Mass: 3138.80
• IUPAC Name: 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)C1=NN=CC1.CC(C)[n+]1ncn[nH]1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnns1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1csnn1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1
• InChI: InChI=1S/2C7H11N.2C7H10O.2C7H10S.4C6H10N2.3C6H9NO.3C6H9NS.4C5H9N3.2C5H8N2O.4C5H8N2S.C4H8N4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-7-8-5;1-4(2)8-6-3-5-7-8/h2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);10*3-5H,1-2H3;7*3-4H,1-2H3/p+1
• InChIKey: XHMGKTWXLHJTTD-UHFFFAOYSA-O
• XLogP: 45.16
• TPSA: 623.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 54
• Rotatable Bonds: 27
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3141.61
LogP ≤ 5	45.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The IUPAC name of 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (CID 159792981) is 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is CC(C)C1=NN=CC1.CC(C)[n+]1ncn[nH]1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnns1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1csnn1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1.

What is the InChIKey of 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The InChIKey is XHMGKTWXLHJTTD-UHFFFAOYSA-O. The full InChI is InChI=1S/2C7H11N.2C7H10O.2C7H10S.4C6H10N2.3C6H9NO.3C6H9NS.4C5H9N3.2C5H8N2O.4C5H8N2S.C4H8N4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-7-8-5;1-4(2)8-6-3-5-7-8/h2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);10*3-5H,1-2H3;7*3-4H,1-2H3/p+1.

What are the key properties of 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 3141.61 g/mol, XLogP of 45.16, 27 rotatable bonds, 5 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-tetrazol-3-ium;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 159792981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).