5-naphthalen-1-yl-1,2-oxazole

C13H9NO — CID 17228872

IUPAC5-naphthalen-1-yl-1,2-oxazole
SMILESc1ccc2c(-c3ccno3)cccc2c1
InChIInChI=1S/C13H9NO/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H
InChIKeyZMHYYERWKNGGQV-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.49
Rot. Bonds1

About 5-naphthalen-1-yl-1,2-oxazole

5-naphthalen-1-yl-1,2-oxazole (PubChem CID 17228872) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1,2-oxazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-1,2-oxazole
PubChem CID17228872
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name5-naphthalen-1-yl-1,2-oxazole
SMILESc1ccc2c(-c3ccno3)cccc2c1
InChIInChI=1S/C13H9NO/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H
InChIKeyZMHYYERWKNGGQV-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-naphthalen-1-yl-1,2-oxazole 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-naphthalen-1-yl-1,2-oxazole?
The IUPAC name of 5-naphthalen-1-yl-1,2-oxazole (CID 17228872) is 5-naphthalen-1-yl-1,2-oxazole.
What is the SMILES notation for 5-naphthalen-1-yl-1,2-oxazole?
The canonical SMILES for 5-naphthalen-1-yl-1,2-oxazole is c1ccc2c(-c3ccno3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-1,2-oxazole?
The InChIKey is ZMHYYERWKNGGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H.
What are the key properties of 5-naphthalen-1-yl-1,2-oxazole?
5-naphthalen-1-yl-1,2-oxazole has a molecular weight of 195.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1,2-oxazole is sourced from PubChem (CID 17228872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).