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

C15H11NO4 — CID 137246577

IUPAC3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol
SMILESOc1ccccc1-c1cnc(-c2cccc(O)c2O)o1
InChIInChI=1S/C15H11NO4/c17-11-6-2-1-4-9(11)13-8-16-15(20-13)10-5-3-7-12(18)14(10)19/h1-8,17-19H
InChIKeyKPHSCIPJKSUSLV-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.13
Rot. Bonds2

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

3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol (PubChem CID 137246577) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol
PubChem CID137246577
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol
SMILESOc1ccccc1-c1cnc(-c2cccc(O)c2O)o1
InChIInChI=1S/C15H11NO4/c17-11-6-2-1-4-9(11)13-8-16-15(20-13)10-5-3-7-12(18)14(10)19/h1-8,17-19H
InChIKeyKPHSCIPJKSUSLV-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': '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 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol?
The IUPAC name of 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol (CID 137246577) is 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol is Oc1ccccc1-c1cnc(-c2cccc(O)c2O)o1.
What is the InChIKey of 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol?
The InChIKey is KPHSCIPJKSUSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-11-6-2-1-4-9(11)13-8-16-15(20-13)10-5-3-7-12(18)14(10)19/h1-8,17-19H.
What are the key properties of 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol?
3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-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 3-[5-(2-hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 137246577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).