1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C15H17N3O2 — CID 63091296

IUPAC1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H17N3O2/c1-2-3-7-11(16)15-17-14(18-20-15)13-9-10-6-4-5-8-12(10)19-13/h4-6,8-9,11H,2-3,7,16H2,1H3
InChIKeyNPBDWSQZGUKPLJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.67
Rot. Bonds5

About 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 63091296) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID63091296
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H17N3O2/c1-2-3-7-11(16)15-17-14(18-20-15)13-9-10-6-4-5-8-12(10)19-13/h4-6,8-9,11H,2-3,7,16H2,1H3
InChIKeyNPBDWSQZGUKPLJ-UHFFFAOYSA-N
XLogP3.67
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 63091296) is 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is NPBDWSQZGUKPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-7-11(16)15-17-14(18-20-15)13-9-10-6-4-5-8-12(10)19-13/h4-6,8-9,11H,2-3,7,16H2,1H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 63091296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).