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

C15H17N3O2 — CID 63091297

IUPAC2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H17N3O2/c1-3-8-15(2,16)14-17-13(18-20-14)12-9-10-6-4-5-7-11(10)19-12/h4-7,9H,3,8,16H2,1-2H3
InChIKeyMXCKEOJKWQFQEU-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.46
Rot. Bonds4

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

2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63091297) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63091297
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H17N3O2/c1-3-8-15(2,16)14-17-13(18-20-14)12-9-10-6-4-5-7-11(10)19-12/h4-7,9H,3,8,16H2,1-2H3
InChIKeyMXCKEOJKWQFQEU-UHFFFAOYSA-N
XLogP3.46
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63091297) is 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is MXCKEOJKWQFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-15(2,16)14-17-13(18-20-14)12-9-10-6-4-5-7-11(10)19-12/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 271.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63091297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).