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

C13H25N5O — CID 116809271

IUPACN-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(N2CCN(C)CC2)no1)C(C)NC
InChIInChI=1S/C13H25N5O/c1-5-11(10(2)14-3)12-15-13(16-19-12)18-8-6-17(4)7-9-18/h10-11,14H,5-9H2,1-4H3
InChIKeyAXSNFXCZDPUONN-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.92
Rot. Bonds5

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

N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 116809271) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID116809271
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(N2CCN(C)CC2)no1)C(C)NC
InChIInChI=1S/C13H25N5O/c1-5-11(10(2)14-3)12-15-13(16-19-12)18-8-6-17(4)7-9-18/h10-11,14H,5-9H2,1-4H3
InChIKeyAXSNFXCZDPUONN-UHFFFAOYSA-N
XLogP0.92
TPSA57.43 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 116809271) is N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(N2CCN(C)CC2)no1)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is AXSNFXCZDPUONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-11(10(2)14-3)12-15-13(16-19-12)18-8-6-17(4)7-9-18/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 116809271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).