1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine

C14H27N5O — CID 79667316

IUPAC1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C14H27N5O/c1-5-11(15-6-2)9-13-16-14(17-20-13)12-10-18(3)7-8-19(12)4/h11-12,15H,5-10H2,1-4H3
InChIKeyVYWQNOANNSMWHE-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.92
Rot. Bonds6

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

1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine (PubChem CID 79667316) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
PubChem CID79667316
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C14H27N5O/c1-5-11(15-6-2)9-13-16-14(17-20-13)12-10-18(3)7-8-19(12)4/h11-12,15H,5-10H2,1-4H3
InChIKeyVYWQNOANNSMWHE-UHFFFAOYSA-N
XLogP0.92
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
The IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine (CID 79667316) is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine.
What is the SMILES notation for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
The canonical SMILES for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine is CCNC(CC)Cc1nc(C2CN(C)CCN2C)no1.
What is the InChIKey of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
The InChIKey is VYWQNOANNSMWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-11(15-6-2)9-13-16-14(17-20-13)12-10-18(3)7-8-19(12)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 0.92, 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)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine is sourced from PubChem (CID 79667316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).