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

C13H9NO2 — CID 75359329

IUPAC3-naphthalen-2-yl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc3ccccc3c2)[nH]o1
InChIInChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,14H
InChIKeyIDEXCBGTYLNYNI-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.79
Rot. Bonds1

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

3-naphthalen-2-yl-2H-1,2-oxazol-5-one (PubChem CID 75359329) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-2H-1,2-oxazol-5-one
PubChem CID75359329
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-naphthalen-2-yl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc3ccccc3c2)[nH]o1
InChIInChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,14H
InChIKeyIDEXCBGTYLNYNI-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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Related Compounds

4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one
CID 10266862
ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate
CID 14707767
4-chloro-3-(4-phenylphenyl)-2H-1,2-oxazol-5-one
CID 85808248
Ethyl 3-amino-3-(naphthalen-2-yl)acrylate
CID 100999923
3-(4-Methylphenyl)-1,2-oxazol-5-ol
CID 23469387
N-methoxy-1-naphthalen-2-ylethenamine
CID 57047007
4-methyl-3-(2,4,6-trimethylphenyl)-2H-1,2-oxazol-5-one
CID 60065383
(E)-3-amino-3-naphthalen-2-ylprop-2-enamide
CID 68142729
3-Amino-3-naphthalen-2-ylprop-2-enamide
CID 68142732
3-(4-tert-Butylphenyl)-1,2-oxazol-5-ol
CID 75359325
3-(Naphthalen-1-yl)-1,2-oxazol-5-ol
CID 75359328
3-naphthalen-1-yl-2H-1,2-oxazole-5-thione
CID 90730202

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-naphthalen-2-yl-2H-1,2-oxazol-5-one (CID 75359329) is 3-naphthalen-2-yl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-naphthalen-2-yl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-naphthalen-2-yl-2H-1,2-oxazol-5-one is O=c1cc(-c2ccc3ccccc3c2)[nH]o1.
What is the InChIKey of 3-naphthalen-2-yl-2H-1,2-oxazol-5-one?
The InChIKey is IDEXCBGTYLNYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,14H.
What are the key properties of 3-naphthalen-2-yl-2H-1,2-oxazol-5-one?
3-naphthalen-2-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-2-yl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).