3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol

C15H11NO3 — CID 142748412

IUPAC3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2ncc(-c3ccccc3)o2)c1O
InChIInChI=1S/C15H11NO3/c17-12-8-4-7-11(14(12)18)15-16-9-13(19-15)10-5-2-1-3-6-10/h1-9,17-18H
InChIKeyIZERKXAGIYSKOH-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.42
Rot. Bonds2

About 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol

3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol (PubChem CID 142748412) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
PubChem CID142748412
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2ncc(-c3ccccc3)o2)c1O
InChIInChI=1S/C15H11NO3/c17-12-8-4-7-11(14(12)18)15-16-9-13(19-15)10-5-2-1-3-6-10/h1-9,17-18H
InChIKeyIZERKXAGIYSKOH-UHFFFAOYSA-N
XLogP3.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
5-phenyl-2-(2-pyridin-2-ylphenyl)-1,3-oxazole
CID 135057630
2-phenoxathiin-1-yl-5-phenyl-1,3-oxazole
CID 91119995
8-(5-phenyl-1,3-oxazol-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 3101909
1-(5-phenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 135688053
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol
CID 135567659
4-[2-(2-phenylquinolin-4-yl)-1,3-oxazol-5-yl]phenol
CID 135549299
2-(1-methylquinolin-1-ium-4-yl)-5-phenyl-1,3-oxazole
CID 6611621
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
2-imidazo[1,2-b]pyridazin-8-yl-5-phenyl-1,3-oxazole
CID 69415059
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol?
The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol (CID 142748412) is 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol is Oc1cccc(-c2ncc(-c3ccccc3)o2)c1O.
What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol?
The InChIKey is IZERKXAGIYSKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-8-4-7-11(14(12)18)15-16-9-13(19-15)10-5-2-1-3-6-10/h1-9,17-18H.
What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol?
3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol has a molecular weight of 253.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 142748412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).