4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione

C9H13N5O3 — CID 106962542

IUPAC4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
SMILESCCNCc1nnc(N2CC(=O)NC(=O)C2)o1
InChIInChI=1S/C9H13N5O3/c1-2-10-3-8-12-13-9(17-8)14-4-6(15)11-7(16)5-14/h10H,2-5H2,1H3,(H,11,15,16)
InChIKeyRWQWZNLYMWAVQH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.36
Rot. Bonds4

About 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione

4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione (PubChem CID 106962542) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
PubChem CID106962542
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
SMILESCCNCc1nnc(N2CC(=O)NC(=O)C2)o1
InChIInChI=1S/C9H13N5O3/c1-2-10-3-8-12-13-9(17-8)14-4-6(15)11-7(16)5-14/h10H,2-5H2,1H3,(H,11,15,16)
InChIKeyRWQWZNLYMWAVQH-UHFFFAOYSA-N
XLogP-1.36
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione (CID 106962542) is 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione is CCNCc1nnc(N2CC(=O)NC(=O)C2)o1.
What is the InChIKey of 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
The InChIKey is RWQWZNLYMWAVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-2-10-3-8-12-13-9(17-8)14-4-6(15)11-7(16)5-14/h10H,2-5H2,1H3,(H,11,15,16).
What are the key properties of 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione?
4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione has a molecular weight of 239.23 g/mol, XLogP of -1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 106962542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).