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

C11H18N4O3 — CID 43521947

IUPAC2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCCc1nnc(CN2CCN(CC(=O)O)CC2)o1
InChIInChI=1S/C11H18N4O3/c1-2-9-12-13-10(18-9)7-14-3-5-15(6-4-14)8-11(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyXGRVBACUMWXAPJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.17
Rot. Bonds5

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

2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 43521947) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID43521947
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCCc1nnc(CN2CCN(CC(=O)O)CC2)o1
InChIInChI=1S/C11H18N4O3/c1-2-9-12-13-10(18-9)7-14-3-5-15(6-4-14)8-11(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyXGRVBACUMWXAPJ-UHFFFAOYSA-N
XLogP-0.17
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid (CID 43521947) is 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid is CCc1nnc(CN2CCN(CC(=O)O)CC2)o1.
What is the InChIKey of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is XGRVBACUMWXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-9-12-13-10(18-9)7-14-3-5-15(6-4-14)8-11(16)17/h2-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).