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

C13H25N5O — CID 115414316

IUPAC1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C13H25N5O/c1-4-5-11(14)13-15-12(16-19-13)8-10-9-17(2)6-7-18(10)3/h10-11H,4-9,14H2,1-3H3
InChIKeyPLSLPBGGMSOBCP-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.66
Rot. Bonds5

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

1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 115414316) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID115414316
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C13H25N5O/c1-4-5-11(14)13-15-12(16-19-13)8-10-9-17(2)6-7-18(10)3/h10-11H,4-9,14H2,1-3H3
InChIKeyPLSLPBGGMSOBCP-UHFFFAOYSA-N
XLogP0.66
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115415952
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414351
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 115415927
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370
5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846782
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115415957
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 115415950
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 115414316) is 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(N)c1nc(CC2CN(C)CCN2C)no1.
What is the InChIKey of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is PLSLPBGGMSOBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-5-11(14)13-15-12(16-19-13)8-10-9-17(2)6-7-18(10)3/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 115414316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).