2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine

C₆₇H₁₁₂N₂₀O₂S — CID 158971516

About 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine

2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine (PubChem CID 158971516) has the molecular formula C₆₇H₁₁₂N₂₀O₂S and a molecular weight of 1261.84 g/mol. Its IUPAC name is 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine.

Molecular Properties

• Compound Name: 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
• PubChem CID: 158971516
• Molecular Formula: C₆₇H₁₁₂N₂₀O₂S
• Molecular Weight: 1261.84 g/mol
• Exact Mass: 1260.90
• IUPAC Name: 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
• SMILES: CC(C)C.CC(C)C1=NCCO1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.c1ccncc1
• InChI: InChI=1S/5C6H10N2.C6H9NO.C6H11NO.C6H9NS.2C5H9N3.C5H5N.C4H10/c1-5(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)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-4(2)3/h2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;5H,3-4H2,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;4H,1-3H3
• InChIKey: JNWNMEOOYUXMME-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 267.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.84
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

The IUPAC name of 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine (CID 158971516) is 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine.

What is the SMILES notation for 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

The canonical SMILES for 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine is CC(C)C.CC(C)C1=NCCO1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.c1ccncc1.

What is the InChIKey of 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

The InChIKey is JNWNMEOOYUXMME-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H10N2.C6H9NO.C6H11NO.C6H9NS.2C5H9N3.C5H5N.C4H10/c1-5(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)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-4(2)3/h2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;5H,3-4H2,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;4H,1-3H3.

What are the key properties of 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine has a molecular weight of 1261.84 g/mol, XLogP of 17.19, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine is sourced from PubChem (CID 158971516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158971516 — identifiers, structure, computed properties (public domain)

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