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

C14H27N5O — CID 82846782

IUPAC5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C14H27N5O/c1-11(15)5-4-6-14-16-13(17-20-14)9-12-10-18(2)7-8-19(12)3/h11-12H,4-10,15H2,1-3H3
InChIKeyZVPFNGDGNAGQMR-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.53
Rot. Bonds6

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

5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82846782) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82846782
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C14H27N5O/c1-11(15)5-4-6-14-16-13(17-20-14)9-12-10-18(2)7-8-19(12)3/h11-12H,4-10,15H2,1-3H3
InChIKeyZVPFNGDGNAGQMR-UHFFFAOYSA-N
XLogP0.53
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-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

4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 115415950
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115415952
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115415957
5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847621
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414316
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414351
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 115415927
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82846782) is 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is CC(N)CCCc1nc(CC2CN(C)CCN2C)no1.
What is the InChIKey of 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is ZVPFNGDGNAGQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11(15)5-4-6-14-16-13(17-20-14)9-12-10-18(2)7-8-19(12)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82846782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).