4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

C15H13NO2 — CID 135769396

IUPAC4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1ccc(C2=NCC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)15-16-10-14(18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChIKeyZIRGVXKBLCKLPE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.91
Rot. Bonds2

About 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 135769396) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID135769396
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1ccc(C2=NCC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)15-16-10-14(18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChIKeyZIRGVXKBLCKLPE-UHFFFAOYSA-N
XLogP2.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 135769396) is 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol is Oc1ccc(C2=NCC(c3ccccc3)O2)cc1.
What is the InChIKey of 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is ZIRGVXKBLCKLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)15-16-10-14(18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2.
What are the key properties of 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 239.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 135769396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).