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

C15H29N5O — CID 115415950

IUPAC1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C15H29N5O/c1-11(2)7-12(16)8-15-17-14(18-21-15)9-13-10-19(3)5-6-20(13)4/h11-13H,5-10,16H2,1-4H3
InChIKeyGYNLRBWRLIJCPP-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.77
Rot. Bonds6

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

1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (PubChem CID 115415950) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
PubChem CID115415950
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C15H29N5O/c1-11(2)7-12(16)8-15-17-14(18-21-15)9-13-10-19(3)5-6-20(13)4/h11-13H,5-10,16H2,1-4H3
InChIKeyGYNLRBWRLIJCPP-UHFFFAOYSA-N
XLogP0.77
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine with MolForge

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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
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115415957
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]ethanol
CID 115415936
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414316
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
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
(2S)-2-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916155
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The IUPAC name of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (CID 115415950) is 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.
What is the SMILES notation for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The canonical SMILES for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is CC(C)CC(N)Cc1nc(CC2CN(C)CCN2C)no1.
What is the InChIKey of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The InChIKey is GYNLRBWRLIJCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-11(2)7-12(16)8-15-17-14(18-21-15)9-13-10-19(3)5-6-20(13)4/h11-13H,5-10,16H2,1-4H3.
What are the key properties of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 0.77, 6 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]-4-methylpentan-2-amine is sourced from PubChem (CID 115415950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).