2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol

C16H12N2O2 — CID 570245

IUPAC2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1-11,19H/b17-11+
InChIKeyBNATYEFQCUHVCT-GZTJUZNOSA-N
MW264.28 g/mol
LogP3.80
Rot. Bonds3

About 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol

2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol (PubChem CID 570245) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol
PubChem CID570245
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1-11,19H/b17-11+
InChIKeyBNATYEFQCUHVCT-GZTJUZNOSA-N
XLogP3.80
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.80
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-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The IUPAC name of 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol (CID 570245) is 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The canonical SMILES for 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1.
What is the InChIKey of 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The InChIKey is BNATYEFQCUHVCT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1-11,19H/b17-11+.
What are the key properties of 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol has a molecular weight of 264.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 570245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).