dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane

C42H46MnN4O7 — CID 157117394

About dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane

dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane (PubChem CID 157117394) has the molecular formula C42H46MnN4O7 and a molecular weight of 773.79 g/mol. Its IUPAC name is dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane.

Molecular Properties

• Compound Name: dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane
• PubChem CID: 157117394
• Molecular Formula: C42H46MnN4O7
• Molecular Weight: 773.79 g/mol
• Exact Mass: 773.27
• IUPAC Name: dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane
• SMILES: C1CCOC1.CC(C)Cc1ccc(-c2nc(-c3ccc(C=O)cc3)no2)cc1.CC(C)Cc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1.O=[Mn]=O
• InChI: InChI=1S/C19H20N2O2.C19H18N2O2.C4H8O.Mn.2O/c2*1-13(2)11-14-3-9-17(10-4-14)19-20-18(21-23-19)16-7-5-15(12-22)6-8-16;1-2-4-5-3-1;;;/h3-10,13,22H,11-12H2,1-2H3;3-10,12-13H,11H2,1-2H3;1-4H2
• InChIKey: NMQBYGMVKYCWBR-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 158.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	773.79
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane?

The IUPAC name of dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane (CID 157117394) is dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane.

What is the SMILES notation for dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane?

The canonical SMILES for dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane is C1CCOC1.CC(C)Cc1ccc(-c2nc(-c3ccc(C=O)cc3)no2)cc1.CC(C)Cc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1.O=[Mn]=O.

What is the InChIKey of dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane?

The InChIKey is NMQBYGMVKYCWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C19H18N2O2.C4H8O.Mn.2O/c2*1-13(2)11-14-3-9-17(10-4-14)19-20-18(21-23-19)16-7-5-15(12-22)6-8-16;1-2-4-5-3-1;;;/h3-10,13,22H,11-12H2,1-2H3;3-10,12-13H,11H2,1-2H3;1-4H2;;;.

What are the key properties of dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane?

dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane has a molecular weight of 773.79 g/mol, XLogP of 9.07, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane is sourced from PubChem (CID 157117394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).