2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol

C15H11NO4 — CID 137246578

IUPAC2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ncc(-c3ccccc3O)o2)c1
InChIInChI=1S/C15H11NO4/c17-9-5-6-13(19)11(7-9)15-16-8-14(20-15)10-3-1-2-4-12(10)18/h1-8,17-19H
InChIKeyHNEZJJQKKKMKMN-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.13
Rot. Bonds2

About 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol

2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol (PubChem CID 137246578) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol
PubChem CID137246578
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ncc(-c3ccccc3O)o2)c1
InChIInChI=1S/C15H11NO4/c17-9-5-6-13(19)11(7-9)15-16-8-14(20-15)10-3-1-2-4-12(10)18/h1-8,17-19H
InChIKeyHNEZJJQKKKMKMN-UHFFFAOYSA-N
XLogP3.13
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol?
The IUPAC name of 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol (CID 137246578) is 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol?
The canonical SMILES for 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol is Oc1ccc(O)c(-c2ncc(-c3ccccc3O)o2)c1.
What is the InChIKey of 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol?
The InChIKey is HNEZJJQKKKMKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-9-5-6-13(19)11(7-9)15-16-8-14(20-15)10-3-1-2-4-12(10)18/h1-8,17-19H.
What are the key properties of 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol?
2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol has a molecular weight of 269.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,4-diol is sourced from PubChem (CID 137246578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).