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

C20H14N2O2 — CID 155551298

IUPAC4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H14N2O2/c23-17-11-5-14(6-12-17)13-21-16-9-7-15(8-10-16)20-22-18-3-1-2-4-19(18)24-20/h1-13,23H/b21-13+
InChIKeyAIHSCPWWIKUELS-FYJGNVAPSA-N
MW314.34 g/mol
LogP4.95
Rot. Bonds3

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

4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 155551298) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID155551298
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H14N2O2/c23-17-11-5-14(6-12-17)13-21-16-9-7-15(8-10-16)20-22-18-3-1-2-4-19(18)24-20/h1-13,23H/b21-13+
InChIKeyAIHSCPWWIKUELS-FYJGNVAPSA-N
XLogP4.95
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 155551298) is 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is Oc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is AIHSCPWWIKUELS-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-17-11-5-14(6-12-17)13-21-16-9-7-15(8-10-16)20-22-18-3-1-2-4-19(18)24-20/h1-13,23H/b21-13+.
What are the key properties of 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 314.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 155551298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).