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

C15H10ClN3O2 — CID 4986282

IUPAC4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1nonc1-c1ccccc1
InChIInChI=1S/C15H10ClN3O2/c16-12-6-7-13(20)11(8-12)9-17-15-14(18-21-19-15)10-4-2-1-3-5-10/h1-9,20H/b17-9+
InChIKeyILOFLSKEKRRGHG-RQZCQDPDSA-N
MW299.72 g/mol
LogP3.85
Rot. Bonds3

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

4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 4986282) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID4986282
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1nonc1-c1ccccc1
InChIInChI=1S/C15H10ClN3O2/c16-12-6-7-13(20)11(8-12)9-17-15-14(18-21-19-15)10-4-2-1-3-5-10/h1-9,20H/b17-9+
InChIKeyILOFLSKEKRRGHG-RQZCQDPDSA-N
XLogP3.85
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.85
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 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 4986282) is 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1nonc1-c1ccccc1.
What is the InChIKey of 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is ILOFLSKEKRRGHG-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-6-7-13(20)11(8-12)9-17-15-14(18-21-19-15)10-4-2-1-3-5-10/h1-9,20H/b17-9+.
What are the key properties of 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 299.72 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-phenyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 4986282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).