2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione

C17H17N3O4 — CID 118608761

IUPAC2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione
SMILESCO[C@H](C)c1nnc(C2CC(N3C(=O)c4ccccc4C3=O)C2)o1
InChIInChI=1S/C17H17N3O4/c1-9(23-2)14-18-19-15(24-14)10-7-11(8-10)20-16(21)12-5-3-4-6-13(12)17(20)22/h3-6,9-11H,7-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyVAVSNSBCEOJMIO-KPPDAEKUSA-N
MW327.34 g/mol
LogP2.32
Rot. Bonds4

About 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione

2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione (PubChem CID 118608761) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione
PubChem CID118608761
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione
SMILESCO[C@H](C)c1nnc(C2CC(N3C(=O)c4ccccc4C3=O)C2)o1
InChIInChI=1S/C17H17N3O4/c1-9(23-2)14-18-19-15(24-14)10-7-11(8-10)20-16(21)12-5-3-4-6-13(12)17(20)22/h3-6,9-11H,7-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyVAVSNSBCEOJMIO-KPPDAEKUSA-N
XLogP2.32
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione (CID 118608761) is 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione is CO[C@H](C)c1nnc(C2CC(N3C(=O)c4ccccc4C3=O)C2)o1.
What is the InChIKey of 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione?
The InChIKey is VAVSNSBCEOJMIO-KPPDAEKUSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9(23-2)14-18-19-15(24-14)10-7-11(8-10)20-16(21)12-5-3-4-6-13(12)17(20)22/h3-6,9-11H,7-8H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione?
2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione has a molecular weight of 327.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione is sourced from PubChem (CID 118608761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).