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

C16H15N3O — CID 81165365

IUPAC1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
SMILESNC1(c2nc(-c3cccc4ccccc34)no2)CCC1
InChIInChI=1S/C16H15N3O/c17-16(9-4-10-16)15-18-14(19-20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,17H2
InChIKeyUWCSADLDHYFEAS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.23
Rot. Bonds2

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

1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine (PubChem CID 81165365) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
PubChem CID81165365
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
SMILESNC1(c2nc(-c3cccc4ccccc34)no2)CCC1
InChIInChI=1S/C16H15N3O/c17-16(9-4-10-16)15-18-14(19-20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,17H2
InChIKeyUWCSADLDHYFEAS-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
The IUPAC name of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine (CID 81165365) is 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine is NC1(c2nc(-c3cccc4ccccc34)no2)CCC1.
What is the InChIKey of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
The InChIKey is UWCSADLDHYFEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16(9-4-10-16)15-18-14(19-20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,17H2.
What are the key properties of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 81165365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).