2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid

C13H22N4O3 — CID 43521803

IUPAC2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCC(C)(C)c1nnc(CN2CCN(CC(=O)O)CC2)o1
InChIInChI=1S/C13H22N4O3/c1-13(2,3)12-15-14-10(20-12)8-16-4-6-17(7-5-16)9-11(18)19/h4-9H2,1-3H3,(H,18,19)
InChIKeySPBZEFDGVRBKKX-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.57
Rot. Bonds4

About 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 43521803) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID43521803
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCC(C)(C)c1nnc(CN2CCN(CC(=O)O)CC2)o1
InChIInChI=1S/C13H22N4O3/c1-13(2,3)12-15-14-10(20-12)8-16-4-6-17(7-5-16)9-11(18)19/h4-9H2,1-3H3,(H,18,19)
InChIKeySPBZEFDGVRBKKX-UHFFFAOYSA-N
XLogP0.57
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid (CID 43521803) is 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid is CC(C)(C)c1nnc(CN2CCN(CC(=O)O)CC2)o1.
What is the InChIKey of 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is SPBZEFDGVRBKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-13(2,3)12-15-14-10(20-12)8-16-4-6-17(7-5-16)9-11(18)19/h4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).