iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane

C46H51IN10O5 — CID 157136825

About iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane

iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane (PubChem CID 157136825) has the molecular formula C46H51IN10O5 and a molecular weight of 950.88 g/mol. Its IUPAC name is iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane.

Molecular Properties

• Compound Name: iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane
• PubChem CID: 157136825
• Molecular Formula: C46H51IN10O5
• Molecular Weight: 950.88 g/mol
• Exact Mass: 950.31
• IUPAC Name: iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane
• SMILES: C1CCOC1.CI.COC[C@@H](C)n1cnnc1-c1cccc(-c2ncc(-c3ccccc3C)o2)n1.Cc1ccccc1-c1cnc(-c2cccc(-c3nncn3[C@H](C)CO)n2)o1
• InChI: InChI=1S/C21H21N5O2.C20H19N5O2.C4H8O.CH3I/c1-14-7-4-5-8-16(14)19-11-22-21(28-19)18-10-6-9-17(24-18)20-25-23-13-26(20)15(2)12-27-3;1-13-6-3-4-7-15(13)18-10-21-20(27-18)17-9-5-8-16(23-17)19-24-22-12-25(19)14(2)11-26;1-2-4-5-3-1;1-2/h4-11,13,15H,12H2,1-3H3;3-10,12,14,26H,11H2,1-2H3;1-4H2;1H3/t15-;14-;;/m11../s1
• InChIKey: AJSKBPKDSGUFLD-KXPOKTIHSA-N
• XLogP: 9.55
• TPSA: 177.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.88
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane?

The IUPAC name of iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane (CID 157136825) is iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane.

What is the SMILES notation for iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane?

The canonical SMILES for iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane is C1CCOC1.CI.COC[C@@H](C)n1cnnc1-c1cccc(-c2ncc(-c3ccccc3C)o2)n1.Cc1ccccc1-c1cnc(-c2cccc(-c3nncn3[C@H](C)CO)n2)o1.

What is the InChIKey of iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane?

The InChIKey is AJSKBPKDSGUFLD-KXPOKTIHSA-N. The full InChI is InChI=1S/C21H21N5O2.C20H19N5O2.C4H8O.CH3I/c1-14-7-4-5-8-16(14)19-11-22-21(28-19)18-10-6-9-17(24-18)20-25-23-13-26(20)15(2)12-27-3;1-13-6-3-4-7-15(13)18-10-21-20(27-18)17-9-5-8-16(23-17)19-24-22-12-25(19)14(2)11-26;1-2-4-5-3-1;1-2/h4-11,13,15H,12H2,1-3H3;3-10,12,14,26H,11H2,1-2H3;1-4H2;1H3/t15-;14-;;/m11../s1.

What are the key properties of iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane?

iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane has a molecular weight of 950.88 g/mol, XLogP of 9.55, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane is sourced from PubChem (CID 157136825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).