2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol

C21H15N3O2 — CID 2302434

IUPAC2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H15N3O2/c25-19-9-5-4-8-17(19)14-22-18-12-10-16(11-13-18)21-24-23-20(26-21)15-6-2-1-3-7-15/h1-14,25H/b22-14+
InChIKeyVKIZRUSVHKIKLR-HYARGMPZSA-N
MW341.37 g/mol
LogP4.86
Rot. Bonds4

About 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol

2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 2302434) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID2302434
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H15N3O2/c25-19-9-5-4-8-17(19)14-22-18-12-10-16(11-13-18)21-24-23-20(26-21)15-6-2-1-3-7-15/h1-14,25H/b22-14+
InChIKeyVKIZRUSVHKIKLR-HYARGMPZSA-N
XLogP4.86
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol (CID 2302434) is 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is VKIZRUSVHKIKLR-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-19-9-5-4-8-17(19)14-22-18-12-10-16(11-13-18)21-24-23-20(26-21)15-6-2-1-3-7-15/h1-14,25H/b22-14+.
What are the key properties of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol?
2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 341.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 2302434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).