2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C17H19N3O — CID 62715364

IUPAC2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-3-11(2)15(18)17-19-16(20-21-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,18H2,1-2H3
InChIKeyOMYPOQWOQITZAE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 62715364) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID62715364
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-3-11(2)15(18)17-19-16(20-21-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,18H2,1-2H3
InChIKeyOMYPOQWOQITZAE-UHFFFAOYSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 62715364) is 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC(C)C(N)c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is OMYPOQWOQITZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-11(2)15(18)17-19-16(20-21-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,18H2,1-2H3.
What are the key properties of 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 62715364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).