1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C14H21N7O2 — CID 56799874

IUPAC1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC(C)c1noc(CN2CCN(C(=O)Cn3cncn3)CC2)n1
InChIInChI=1S/C14H21N7O2/c1-11(2)14-17-12(23-18-14)7-19-3-5-20(6-4-19)13(22)8-21-10-15-9-16-21/h9-11H,3-8H2,1-2H3
InChIKeyXNZAZXYDKPLEIF-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.13
Rot. Bonds5

About 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 56799874) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID56799874
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC(C)c1noc(CN2CCN(C(=O)Cn3cncn3)CC2)n1
InChIInChI=1S/C14H21N7O2/c1-11(2)14-17-12(23-18-14)7-19-3-5-20(6-4-19)13(22)8-21-10-15-9-16-21/h9-11H,3-8H2,1-2H3
InChIKeyXNZAZXYDKPLEIF-UHFFFAOYSA-N
XLogP0.13
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 56799874) is 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is CC(C)c1noc(CN2CCN(C(=O)Cn3cncn3)CC2)n1.
What is the InChIKey of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is XNZAZXYDKPLEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-11(2)14-17-12(23-18-14)7-19-3-5-20(6-4-19)13(22)8-21-10-15-9-16-21/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 319.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 56799874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).