1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione

C17H20N4O4 — CID 119034026

IUPAC1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione
SMILESCCN1CCN(CCc2noc(C3CC3c3ccco3)n2)C(=O)C1=O
InChIInChI=1S/C17H20N4O4/c1-2-20-7-8-21(17(23)16(20)22)6-5-14-18-15(25-19-14)12-10-11(12)13-4-3-9-24-13/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyRBYRCSGZYXUKSK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.17
Rot. Bonds6

About 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione

1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione (PubChem CID 119034026) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione
PubChem CID119034026
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione
SMILESCCN1CCN(CCc2noc(C3CC3c3ccco3)n2)C(=O)C1=O
InChIInChI=1S/C17H20N4O4/c1-2-20-7-8-21(17(23)16(20)22)6-5-14-18-15(25-19-14)12-10-11(12)13-4-3-9-24-13/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyRBYRCSGZYXUKSK-UHFFFAOYSA-N
XLogP1.17
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione (CID 119034026) is 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione is CCN1CCN(CCc2noc(C3CC3c3ccco3)n2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione?
The InChIKey is RBYRCSGZYXUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-2-20-7-8-21(17(23)16(20)22)6-5-14-18-15(25-19-14)12-10-11(12)13-4-3-9-24-13/h3-4,9,11-12H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione?
1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione has a molecular weight of 344.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione is sourced from PubChem (CID 119034026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).