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

C13H19N3O2 — CID 114103597

IUPAC3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCc1occc1-c1nc(C(N)(CC)CC)no1
InChIInChI=1S/C13H19N3O2/c1-4-10-9(7-8-17-10)11-15-12(16-18-11)13(14,5-2)6-3/h7-8H,4-6,14H2,1-3H3
InChIKeyIKQVYXJNBPZHHT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.87
Rot. Bonds5

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

3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 114103597) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID114103597
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCc1occc1-c1nc(C(N)(CC)CC)no1
InChIInChI=1S/C13H19N3O2/c1-4-10-9(7-8-17-10)11-15-12(16-18-11)13(14,5-2)6-3/h7-8H,4-6,14H2,1-3H3
InChIKeyIKQVYXJNBPZHHT-UHFFFAOYSA-N
XLogP2.87
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326086
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 106689440
3-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326096
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62920645
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868
3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62505441
3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 106689437
3-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 82772686
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 114103597) is 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCc1occc1-c1nc(C(N)(CC)CC)no1.
What is the InChIKey of 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is IKQVYXJNBPZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-10-9(7-8-17-10)11-15-12(16-18-11)13(14,5-2)6-3/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 249.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 114103597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).