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

C22H16N2O2 — CID 135567659

IUPAC2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H16N2O2/c25-20-9-5-4-8-18(20)14-23-19-12-10-16(11-13-19)21-15-24-22(26-21)17-6-2-1-3-7-17/h1-15,25H/b23-14+
InChIKeyFYXKFSHGEXJHGZ-OEAKJJBVSA-N
MW340.38 g/mol
LogP5.46
Rot. Bonds4

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

2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol (PubChem CID 135567659) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol
PubChem CID135567659
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H16N2O2/c25-20-9-5-4-8-18(20)14-23-19-12-10-16(11-13-19)21-15-24-22(26-21)17-6-2-1-3-7-17/h1-15,25H/b23-14+
InChIKeyFYXKFSHGEXJHGZ-OEAKJJBVSA-N
XLogP5.46
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.46
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 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol (CID 135567659) is 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(-c2cnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol?
The InChIKey is FYXKFSHGEXJHGZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-20-9-5-4-8-18(20)14-23-19-12-10-16(11-13-19)21-15-24-22(26-21)17-6-2-1-3-7-17/h1-15,25H/b23-14+.
What are the key properties of 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol?
2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol has a molecular weight of 340.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135567659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).