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

C12H23N5O — CID 116807658

IUPAC2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(N2CCN(C)CC2)no1
InChIInChI=1S/C12H23N5O/c1-4-5-12(2,13)10-14-11(15-18-10)17-8-6-16(3)7-9-17/h4-9,13H2,1-3H3
InChIKeyPXOVQOWZYLDSTO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.80
Rot. Bonds4

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

2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 116807658) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID116807658
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(N2CCN(C)CC2)no1
InChIInChI=1S/C12H23N5O/c1-4-5-12(2,13)10-14-11(15-18-10)17-8-6-16(3)7-9-17/h4-9,13H2,1-3H3
InChIKeyPXOVQOWZYLDSTO-UHFFFAOYSA-N
XLogP0.80
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806716
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107925090
5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 143714152
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63091297
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65415327
(1S)-2-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900402
(1S)-3-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904377
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65140957
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806776

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 116807658) is 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(N2CCN(C)CC2)no1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is PXOVQOWZYLDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-5-12(2,13)10-14-11(15-18-10)17-8-6-16(3)7-9-17/h4-9,13H2,1-3H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 116807658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).