N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C16H16N4O6 — CID 7655711

IUPACN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)cc1OC
InChIInChI=1S/C16H16N4O6/c1-24-10-4-3-9(7-11(10)25-2)15-18-19-16(26-15)17-12(21)8-20-13(22)5-6-14(20)23/h3-4,7H,5-6,8H2,1-2H3,(H,17,19,21)
InChIKeyBRIFNXDKNCOYFH-UHFFFAOYSA-N
MW360.33 g/mol
LogP0.84
Rot. Bonds6

About N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 7655711) has the molecular formula C16H16N4O6 and a molecular weight of 360.33 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID7655711
Molecular FormulaC16H16N4O6
Molecular Weight360.33 g/mol
Exact Mass360.11
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)cc1OC
InChIInChI=1S/C16H16N4O6/c1-24-10-4-3-9(7-11(10)25-2)15-18-19-16(26-15)17-12(21)8-20-13(22)5-6-14(20)23/h3-4,7H,5-6,8H2,1-2H3,(H,17,19,21)
InChIKeyBRIFNXDKNCOYFH-UHFFFAOYSA-N
XLogP0.84
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 7655711) is N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is COc1ccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is BRIFNXDKNCOYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O6/c1-24-10-4-3-9(7-11(10)25-2)15-18-19-16(26-15)17-12(21)8-20-13(22)5-6-14(20)23/h3-4,7H,5-6,8H2,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 360.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 7655711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).