(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine

C13H11N3O — CID 61324776

IUPAC(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNCc1noc(-c2cccc3ccccc23)n1
InChIInChI=1S/C13H11N3O/c14-8-12-15-13(17-16-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,14H2
InChIKeyBLFBEVYGLVZAMN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds2

About (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine

(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 61324776) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID61324776
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNCc1noc(-c2cccc3ccccc23)n1
InChIInChI=1S/C13H11N3O/c14-8-12-15-13(17-16-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,14H2
InChIKeyBLFBEVYGLVZAMN-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 61324776) is (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine is NCc1noc(-c2cccc3ccccc23)n1.
What is the InChIKey of (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is BLFBEVYGLVZAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-12-15-13(17-16-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,14H2.
What are the key properties of (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine?
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 61324776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).