2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol

C17H11NO3 — CID 135492380

IUPAC2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2cc(-c3nc4cc(O)ccc4o3)ccc2c1
InChIInChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-18-15-9-14(20)5-6-16(15)21-17/h1-9,19-20H
InChIKeyPRBSKPRGLMJEEA-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

About 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol

2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol (PubChem CID 135492380) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol
PubChem CID135492380
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2cc(-c3nc4cc(O)ccc4o3)ccc2c1
InChIInChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-18-15-9-14(20)5-6-16(15)21-17/h1-9,19-20H
InChIKeyPRBSKPRGLMJEEA-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol (CID 135492380) is 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol is Oc1ccc2cc(-c3nc4cc(O)ccc4o3)ccc2c1.
What is the InChIKey of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol?
The InChIKey is PRBSKPRGLMJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-18-15-9-14(20)5-6-16(15)21-17/h1-9,19-20H.
What are the key properties of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol?
2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol has a molecular weight of 277.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135492380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).