3-naphthalen-2-yl-1,2-oxazolidine

C13H13NO — CID 164533749

IUPAC3-naphthalen-2-yl-1,2-oxazolidine
SMILESc1ccc2cc(C3CCON3)ccc2c1
InChIInChI=1S/C13H13NO/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-15-14-13/h1-6,9,13-14H,7-8H2
InChIKeyORZFWIREBJMAHH-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.81
Rot. Bonds1

About 3-naphthalen-2-yl-1,2-oxazolidine

3-naphthalen-2-yl-1,2-oxazolidine (PubChem CID 164533749) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name3-naphthalen-2-yl-1,2-oxazolidine
PubChem CID164533749
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-naphthalen-2-yl-1,2-oxazolidine
SMILESc1ccc2cc(C3CCON3)ccc2c1
InChIInChI=1S/C13H13NO/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-15-14-13/h1-6,9,13-14H,7-8H2
InChIKeyORZFWIREBJMAHH-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1,2-oxazolidine?
The IUPAC name of 3-naphthalen-2-yl-1,2-oxazolidine (CID 164533749) is 3-naphthalen-2-yl-1,2-oxazolidine.
What is the SMILES notation for 3-naphthalen-2-yl-1,2-oxazolidine?
The canonical SMILES for 3-naphthalen-2-yl-1,2-oxazolidine is c1ccc2cc(C3CCON3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-1,2-oxazolidine?
The InChIKey is ORZFWIREBJMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-15-14-13/h1-6,9,13-14H,7-8H2.
What are the key properties of 3-naphthalen-2-yl-1,2-oxazolidine?
3-naphthalen-2-yl-1,2-oxazolidine has a molecular weight of 199.25 g/mol, XLogP of 2.81, 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-1,2-oxazolidine is sourced from PubChem (CID 164533749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).