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

C15H11NO5 — CID 137246579

IUPAC2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cnc(-c3cc(O)ccc3O)o2)c1
InChIInChI=1S/C15H11NO5/c17-8-1-3-12(19)10(5-8)14-7-16-15(21-14)11-6-9(18)2-4-13(11)20/h1-7,17-20H
InChIKeyNAIXRHKXWFRBJR-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.83
Rot. Bonds2

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

2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol (PubChem CID 137246579) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol
PubChem CID137246579
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cnc(-c3cc(O)ccc3O)o2)c1
InChIInChI=1S/C15H11NO5/c17-8-1-3-12(19)10(5-8)14-7-16-15(21-14)11-6-9(18)2-4-13(11)20/h1-7,17-20H
InChIKeyNAIXRHKXWFRBJR-UHFFFAOYSA-N
XLogP2.83
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol?
The IUPAC name of 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol (CID 137246579) is 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol?
The canonical SMILES for 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol is Oc1ccc(O)c(-c2cnc(-c3cc(O)ccc3O)o2)c1.
What is the InChIKey of 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol?
The InChIKey is NAIXRHKXWFRBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-8-1-3-12(19)10(5-8)14-7-16-15(21-14)11-6-9(18)2-4-13(11)20/h1-7,17-20H.
What are the key properties of 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol?
2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol has a molecular weight of 285.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dihydroxyphenyl)-1,3-oxazol-5-yl]benzene-1,4-diol is sourced from PubChem (CID 137246579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).