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

C10H18N4O — CID 70649668

IUPAC3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(N2CCNC[C@@H]2C)no1
InChIInChI=1S/C10H18N4O/c1-7(2)9-12-10(13-15-9)14-5-4-11-6-8(14)3/h7-8,11H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyMPDZOSVEKPEWJH-QMMMGPOBSA-N
MW210.28 g/mol
LogP0.99
Rot. Bonds2

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

3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 70649668) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID70649668
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(N2CCNC[C@@H]2C)no1
InChIInChI=1S/C10H18N4O/c1-7(2)9-12-10(13-15-9)14-5-4-11-6-8(14)3/h7-8,11H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyMPDZOSVEKPEWJH-QMMMGPOBSA-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-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 70649668) is 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(N2CCNC[C@@H]2C)no1.
What is the InChIKey of 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is MPDZOSVEKPEWJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9-12-10(13-15-9)14-5-4-11-6-8(14)3/h7-8,11H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(2S)-2-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-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 70649668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).