5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine

C13H11N3O — CID 63692237

IUPAC5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2cccc3ccccc23)n1
InChIInChI=1S/C13H11N3O/c14-13-15-12(17-16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,16)
InChIKeyGIWSJCBRRLVEQG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.40
Rot. Bonds2

About 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine

5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63692237) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
PubChem CID63692237
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2cccc3ccccc23)n1
InChIInChI=1S/C13H11N3O/c14-13-15-12(17-16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,16)
InChIKeyGIWSJCBRRLVEQG-UHFFFAOYSA-N
XLogP2.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine (CID 63692237) is 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(Cc2cccc3ccccc23)n1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is GIWSJCBRRLVEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-13-15-12(17-16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,16).
What are the key properties of 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine?
5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).