1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol

C14H26N4O2 — CID 71875278

IUPAC1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCCCc1noc(CN2CCN(CC(O)CC)CC2)n1
InChIInChI=1S/C14H26N4O2/c1-3-5-13-15-14(20-16-13)11-18-8-6-17(7-9-18)10-12(19)4-2/h12,19H,3-11H2,1-2H3
InChIKeyLVBFZMHGVVHUSP-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.91
Rot. Bonds7

About 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol

1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol (PubChem CID 71875278) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
PubChem CID71875278
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCCCc1noc(CN2CCN(CC(O)CC)CC2)n1
InChIInChI=1S/C14H26N4O2/c1-3-5-13-15-14(20-16-13)11-18-8-6-17(7-9-18)10-12(19)4-2/h12,19H,3-11H2,1-2H3
InChIKeyLVBFZMHGVVHUSP-UHFFFAOYSA-N
XLogP0.91
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol (CID 71875278) is 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol is CCCc1noc(CN2CCN(CC(O)CC)CC2)n1.
What is the InChIKey of 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is LVBFZMHGVVHUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-5-13-15-14(20-16-13)11-18-8-6-17(7-9-18)10-12(19)4-2/h12,19H,3-11H2,1-2H3.
What are the key properties of 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 71875278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).