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

C11H14ClN3O2 — CID 106689437

IUPAC3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C11H14ClN3O2/c1-3-11(13,4-2)10-14-9(17-15-10)7-5-6-8(12)16-7/h5-6H,3-4,13H2,1-2H3
InChIKeyNZKKMYMAIIRKAB-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.96
Rot. Bonds4

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

3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 106689437) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID106689437
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C11H14ClN3O2/c1-3-11(13,4-2)10-14-9(17-15-10)7-5-6-8(12)16-7/h5-6H,3-4,13H2,1-2H3
InChIKeyNZKKMYMAIIRKAB-UHFFFAOYSA-N
XLogP2.96
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62920645
3-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 82772686
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 113452939
3-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326096
3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 114103597
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326086
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 106689437) is 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2ccc(Cl)o2)n1.
What is the InChIKey of 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is NZKKMYMAIIRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-3-11(13,4-2)10-14-9(17-15-10)7-5-6-8(12)16-7/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 255.70 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 106689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).