3-naphthalen-1-yl-2H-1,2-oxazol-5-one

C13H9NO2 — CID 75359328

IUPAC3-naphthalen-1-yl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc3ccccc23)[nH]o1
InChIInChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChIKeyBFYGETYYPBIJAS-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.79
Rot. Bonds1

About 3-naphthalen-1-yl-2H-1,2-oxazol-5-one

3-naphthalen-1-yl-2H-1,2-oxazol-5-one (PubChem CID 75359328) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-naphthalen-1-yl-2H-1,2-oxazol-5-one
PubChem CID75359328
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-naphthalen-1-yl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc3ccccc23)[nH]o1
InChIInChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChIKeyBFYGETYYPBIJAS-UHFFFAOYSA-N
XLogP2.79
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-naphthalen-1-yl-2H-1,2-oxazol-5-one (CID 75359328) is 3-naphthalen-1-yl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-naphthalen-1-yl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-naphthalen-1-yl-2H-1,2-oxazol-5-one is O=c1cc(-c2cccc3ccccc23)[nH]o1.
What is the InChIKey of 3-naphthalen-1-yl-2H-1,2-oxazol-5-one?
The InChIKey is BFYGETYYPBIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H.
What are the key properties of 3-naphthalen-1-yl-2H-1,2-oxazol-5-one?
3-naphthalen-1-yl-2H-1,2-oxazol-5-one has a molecular weight of 211.22 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).