3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C12H22N4O — CID 95275038

IUPAC3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C12H22N4O/c1-9(2)15-5-7-16(8-6-15)10(3)12-13-11(4)14-17-12/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyOKSFXTFANPNPNZ-JTQLQIEISA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds3

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

3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 95275038) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID95275038
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C12H22N4O/c1-9(2)15-5-7-16(8-6-15)10(3)12-13-11(4)14-17-12/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyOKSFXTFANPNPNZ-JTQLQIEISA-N
XLogP1.47
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 95275038) is 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is Cc1noc([C@H](C)N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is OKSFXTFANPNPNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)15-5-7-16(8-6-15)10(3)12-13-11(4)14-17-12/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95275038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).