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

C14H24N4O3 — CID 43522381

IUPAC3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
SMILESCC(C)(C)c1nnc(CN2CCN(CCC(=O)O)CC2)o1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)13-16-15-11(21-13)10-18-8-6-17(7-9-18)5-4-12(19)20/h4-10H2,1-3H3,(H,19,20)
InChIKeyFYMVBSHVSGOFAC-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds5

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

3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid (PubChem CID 43522381) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
PubChem CID43522381
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
SMILESCC(C)(C)c1nnc(CN2CCN(CCC(=O)O)CC2)o1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)13-16-15-11(21-13)10-18-8-6-17(7-9-18)5-4-12(19)20/h4-10H2,1-3H3,(H,19,20)
InChIKeyFYMVBSHVSGOFAC-UHFFFAOYSA-N
XLogP0.96
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid (CID 43522381) is 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid is CC(C)(C)c1nnc(CN2CCN(CCC(=O)O)CC2)o1.
What is the InChIKey of 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The InChIKey is FYMVBSHVSGOFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)13-16-15-11(21-13)10-18-8-6-17(7-9-18)5-4-12(19)20/h4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).