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

C17H10FNO3 — CID 11323885

IUPAC5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2c(-c3nc4cc(F)c(O)cc4o3)cccc2c1
InChIInChI=1S/C17H10FNO3/c18-13-7-14-16(8-15(13)21)22-17(19-14)12-3-1-2-9-6-10(20)4-5-11(9)12/h1-8,20-21H
InChIKeyRUDNLZLPBZHTLX-UHFFFAOYSA-N
MW295.27 g/mol
LogP4.20
Rot. Bonds1

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

5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol (PubChem CID 11323885) has the molecular formula C17H10FNO3 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
PubChem CID11323885
Molecular FormulaC17H10FNO3
Molecular Weight295.27 g/mol
Exact Mass295.06
IUPAC Name5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2c(-c3nc4cc(F)c(O)cc4o3)cccc2c1
InChIInChI=1S/C17H10FNO3/c18-13-7-14-16(8-15(13)21)22-17(19-14)12-3-1-2-9-6-10(20)4-5-11(9)12/h1-8,20-21H
InChIKeyRUDNLZLPBZHTLX-UHFFFAOYSA-N
XLogP4.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-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 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The IUPAC name of 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol (CID 11323885) is 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol is Oc1ccc2c(-c3nc4cc(F)c(O)cc4o3)cccc2c1.
What is the InChIKey of 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The InChIKey is RUDNLZLPBZHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO3/c18-13-7-14-16(8-15(13)21)22-17(19-14)12-3-1-2-9-6-10(20)4-5-11(9)12/h1-8,20-21H.
What are the key properties of 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol has a molecular weight of 295.27 g/mol, XLogP of 4.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 11323885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).