2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid

C9H14N4O3 — CID 43521948

IUPAC2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ncon2)CC1
InChIInChI=1S/C9H14N4O3/c14-9(15)6-13-3-1-12(2-4-13)5-8-10-7-16-11-8/h7H,1-6H2,(H,14,15)
InChIKeyKBZVPCGZURGODK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.73
Rot. Bonds4

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

2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid (PubChem CID 43521948) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
PubChem CID43521948
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ncon2)CC1
InChIInChI=1S/C9H14N4O3/c14-9(15)6-13-3-1-12(2-4-13)5-8-10-7-16-11-8/h7H,1-6H2,(H,14,15)
InChIKeyKBZVPCGZURGODK-UHFFFAOYSA-N
XLogP-0.73
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid (CID 43521948) is 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2ncon2)CC1.
What is the InChIKey of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid?
The InChIKey is KBZVPCGZURGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-9(15)6-13-3-1-12(2-4-13)5-8-10-7-16-11-8/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid?
2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).