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

C13H25N5O — CID 116807699

IUPAC4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)CC(CN)c1nc(N2CCN(C)CC2)no1
InChIInChI=1S/C13H25N5O/c1-10(2)8-11(9-14)12-15-13(16-19-12)18-6-4-17(3)5-7-18/h10-11H,4-9,14H2,1-3H3
InChIKeyABCIQHMVVKVHFF-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.91
Rot. Bonds5

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

4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 116807699) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID116807699
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)CC(CN)c1nc(N2CCN(C)CC2)no1
InChIInChI=1S/C13H25N5O/c1-10(2)8-11(9-14)12-15-13(16-19-12)18-6-4-17(3)5-7-18/h10-11H,4-9,14H2,1-3H3
InChIKeyABCIQHMVVKVHFF-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-3-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904377
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
(1S)-2-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900402
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116809271
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
(R)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898845
(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898844
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 116807699) is 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)CC(CN)c1nc(N2CCN(C)CC2)no1.
What is the InChIKey of 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is ABCIQHMVVKVHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)8-11(9-14)12-15-13(16-19-12)18-6-4-17(3)5-7-18/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 116807699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).