1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine

C21H22N4O2 — CID 15954158

IUPAC1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine
SMILESc1ccc(C(=NOCc2nnc(N3CCCCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)24-26-16-19-22-23-21(27-19)25-14-8-3-9-15-25/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyISMZGJVWVLGUHR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.03
Rot. Bonds6

About 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine

1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine (PubChem CID 15954158) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine
PubChem CID15954158
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine
SMILESc1ccc(C(=NOCc2nnc(N3CCCCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)24-26-16-19-22-23-21(27-19)25-14-8-3-9-15-25/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyISMZGJVWVLGUHR-UHFFFAOYSA-N
XLogP4.03
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine?
The IUPAC name of 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine (CID 15954158) is 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine is c1ccc(C(=NOCc2nnc(N3CCCCC3)o2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine?
The InChIKey is ISMZGJVWVLGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)24-26-16-19-22-23-21(27-19)25-14-8-3-9-15-25/h1-2,4-7,10-13H,3,8-9,14-16H2.
What are the key properties of 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine?
1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine has a molecular weight of 362.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine is sourced from PubChem (CID 15954158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).