5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

C13H24N4O — CID 47020900

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(CC(C)C)no2)CC1
InChIInChI=1S/C13H24N4O/c1-4-16-5-7-17(8-6-16)10-13-14-12(15-18-13)9-11(2)3/h11H,4-10H2,1-3H3
InChIKeyBMTAMSMALXIXOJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds5

About 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 47020900) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID47020900
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(CC(C)C)no2)CC1
InChIInChI=1S/C13H24N4O/c1-4-16-5-7-17(8-6-16)10-13-14-12(15-18-13)9-11(2)3/h11H,4-10H2,1-3H3
InChIKeyBMTAMSMALXIXOJ-UHFFFAOYSA-N
XLogP1.41
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 47020900) is 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is CCN1CCN(Cc2nc(CC(C)C)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is BMTAMSMALXIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-16-5-7-17(8-6-16)10-13-14-12(15-18-13)9-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 252.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 47020900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).