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

C15H15N3O2 — CID 63350428

IUPAC2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H15N3O2/c16-11-6-3-5-10(11)15-17-14(18-20-15)13-8-9-4-1-2-7-12(9)19-13/h1-2,4,7-8,10-11H,3,5-6,16H2
InChIKeyFOZKZUMFQVSUMY-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.08
Rot. Bonds2

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

2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 63350428) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID63350428
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H15N3O2/c16-11-6-3-5-10(11)15-17-14(18-20-15)13-8-9-4-1-2-7-12(9)19-13/h1-2,4,7-8,10-11H,3,5-6,16H2
InChIKeyFOZKZUMFQVSUMY-UHFFFAOYSA-N
XLogP3.08
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95012274
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82624848
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 107917827
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carbonitrile
CID 106524742
3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 63091500
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107915071
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
3-(1-benzofuran-2-yl)cyclopent-2-en-1-amine
CID 114733648
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 63350428) is 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1CCCC1c1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is FOZKZUMFQVSUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-11-6-3-5-10(11)15-17-14(18-20-15)13-8-9-4-1-2-7-12(9)19-13/h1-2,4,7-8,10-11H,3,5-6,16H2.
What are the key properties of 2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 269.30 g/mol, XLogP of 3.08, 2 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]cyclopentan-1-amine is sourced from PubChem (CID 63350428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).