2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C13H9NO3 — CID 135405741

IUPAC2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)ccc3o2)cc1
InChIInChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
InChIKeyDPAMLAKLEWYMGF-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135405741) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135405741
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)ccc3o2)cc1
InChIInChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
InChIKeyDPAMLAKLEWYMGF-UHFFFAOYSA-N
XLogP2.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135405741) is 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)ccc3o2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is DPAMLAKLEWYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H.
What are the key properties of 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 227.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135405741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).