2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole

C₄₅H₇₅N₁₇O₂ — CID 158360371

About 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158360371) has the molecular formula C₄₅H₇₅N₁₇O₂ and a molecular weight of 886.21 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
• PubChem CID: 158360371
• Molecular Formula: C₄₅H₇₅N₁₇O₂
• Molecular Weight: 886.21 g/mol
• Exact Mass: 885.63
• IUPAC Name: 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
• SMILES: CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
• InChI: InChI=1S/4C6H10N2.2C6H9NO.C5H9N3.C4H8N4/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;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)6-3-7-4-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h4*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
• InChIKey: GTJWCKOCNJYDRB-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 262.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	886.21
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?

The IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158360371) is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole.

What is the SMILES notation for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?

The canonical SMILES for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.

What is the InChIKey of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?

The InChIKey is GTJWCKOCNJYDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H10N2.2C6H9NO.C5H9N3.C4H8N4/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;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)6-3-7-4-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h4*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8).

What are the key properties of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 886.21 g/mol, XLogP of 10.98, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158360371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158360371 — identifiers, structure, computed properties (public domain)

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