2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H19N5O2 — CID 106109397

IUPAC2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(N2CCN(C)CC2)no1
InChIInChI=1S/C10H19N5O2/c1-14-3-5-15(6-4-14)10-12-9(17-13-10)8(7-11)16-2/h8H,3-7,11H2,1-2H3
InChIKeyZXZAJAWCCFXPGT-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.53
Rot. Bonds4

About 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106109397) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106109397
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(N2CCN(C)CC2)no1
InChIInChI=1S/C10H19N5O2/c1-14-3-5-15(6-4-14)10-12-9(17-13-10)8(7-11)16-2/h8H,3-7,11H2,1-2H3
InChIKeyZXZAJAWCCFXPGT-UHFFFAOYSA-N
XLogP-0.53
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116807699
(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
(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
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 106109161
N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116809271
2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109316
2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106109360
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
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106109397) is 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine is COC(CN)c1nc(N2CCN(C)CC2)no1.
What is the InChIKey of 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ZXZAJAWCCFXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-14-3-5-15(6-4-14)10-12-9(17-13-10)8(7-11)16-2/h8H,3-7,11H2,1-2H3.
What are the key properties of 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 241.29 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106109397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).