3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole

C10H18N4O — CID 67037531

IUPAC3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC1CN(c2noc(C(C)C)n2)CCN1
InChIInChI=1S/C10H18N4O/c1-7(2)9-12-10(13-15-9)14-5-4-11-8(3)6-14/h7-8,11H,4-6H2,1-3H3
InChIKeyNPWIHDJIBVQNCJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.99
Rot. Bonds2

About 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole

3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 67037531) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID67037531
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC1CN(c2noc(C(C)C)n2)CCN1
InChIInChI=1S/C10H18N4O/c1-7(2)9-12-10(13-15-9)14-5-4-11-8(3)6-14/h7-8,11H,4-6H2,1-3H3
InChIKeyNPWIHDJIBVQNCJ-UHFFFAOYSA-N
XLogP0.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole (CID 67037531) is 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole is CC1CN(c2noc(C(C)C)n2)CCN1.
What is the InChIKey of 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NPWIHDJIBVQNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9-12-10(13-15-9)14-5-4-11-8(3)6-14/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 67037531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).