4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol

C15H11NO3 — CID 115047090

IUPAC4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol
SMILESOc1ccc(-c2coc(-c3ccccc3)n2)cc1O
InChIInChI=1S/C15H11NO3/c17-13-7-6-11(8-14(13)18)12-9-19-15(16-12)10-4-2-1-3-5-10/h1-9,17-18H
InChIKeyNDZYWCHVAUNQAE-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.42
Rot. Bonds2

About 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol

4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol (PubChem CID 115047090) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol
PubChem CID115047090
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol
SMILESOc1ccc(-c2coc(-c3ccccc3)n2)cc1O
InChIInChI=1S/C15H11NO3/c17-13-7-6-11(8-14(13)18)12-9-19-15(16-12)10-4-2-1-3-5-10/h1-9,17-18H
InChIKeyNDZYWCHVAUNQAE-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol (CID 115047090) is 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol is Oc1ccc(-c2coc(-c3ccccc3)n2)cc1O.
What is the InChIKey of 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol?
The InChIKey is NDZYWCHVAUNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-13-7-6-11(8-14(13)18)12-9-19-15(16-12)10-4-2-1-3-5-10/h1-9,17-18H.
What are the key properties of 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol?
4-(2-phenyl-1,3-oxazol-4-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 4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 115047090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).