1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole

C132H230N36O3S4 — CID 158526642

About 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole

1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole (PubChem CID 158526642) has the molecular formula C132H230N36O3S4 and a molecular weight of 2497.81 g/mol. Its IUPAC name is 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158526642
• Molecular Formula: C132H230N36O3S4
• Molecular Weight: 2497.81 g/mol
• Exact Mass: 2495.78
• IUPAC Name: 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)C1=CC=CC1.CC(C)C1C=NN=C1.CC(C)C1CCCCN1.CC(C)C1CNSC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnsn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cnnn1
• InChI: InChI=1S/C8H11N.2C8H17N.C8H12.C7H16N2.2C7H10N2.C7H15NO.5C6H10N2.C6H9NO.C6H9NS.C6H13NS.C5H9N3.C5H8N2O.2C5H8N2S.C4H8N4/c1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-8-4-6;1-5(2)8-4-6-3-7-8;2*1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)8-3-5-6-7-8/h3-7H,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5-7H,3-4H2,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3
• InChIKey: HMWCFUIGUQNFCI-UHFFFAOYSA-N
• XLogP: 31.15
• TPSA: 440.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2497.81
LogP ≤ 5	31.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole (CID 158526642) is 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole is CC(C)C1=CC=CC1.CC(C)C1C=NN=C1.CC(C)C1CCCCN1.CC(C)C1CNSC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnsn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cnnn1.

What is the InChIKey of 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole?

The InChIKey is HMWCFUIGUQNFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C8H17N.C8H12.C7H16N2.2C7H10N2.C7H15NO.5C6H10N2.C6H9NO.C6H9NS.C6H13NS.C5H9N3.C5H8N2O.2C5H8N2S.C4H8N4/c1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-8-4-6;1-5(2)8-4-6-3-7-8;2*1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)8-3-5-6-7-8/h3-7H,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5-7H,3-4H2,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3.

What are the key properties of 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole?

1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole has a molecular weight of 2497.81 g/mol, XLogP of 31.15, 21 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158526642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).