2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide

C13H17N3O4 — CID 121016619

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
SMILESCc1cc(CCCNC(=O)CN2C(=O)CCC2=O)on1
InChIInChI=1S/C13H17N3O4/c1-9-7-10(20-15-9)3-2-6-14-11(17)8-16-12(18)4-5-13(16)19/h7H,2-6,8H2,1H3,(H,14,17)
InChIKeyYMCNDTQTVMTVQQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.18
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide (PubChem CID 121016619) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
PubChem CID121016619
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
SMILESCc1cc(CCCNC(=O)CN2C(=O)CCC2=O)on1
InChIInChI=1S/C13H17N3O4/c1-9-7-10(20-15-9)3-2-6-14-11(17)8-16-12(18)4-5-13(16)19/h7H,2-6,8H2,1H3,(H,14,17)
InChIKeyYMCNDTQTVMTVQQ-UHFFFAOYSA-N
XLogP0.18
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide (CID 121016619) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide is Cc1cc(CCCNC(=O)CN2C(=O)CCC2=O)on1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide?
The InChIKey is YMCNDTQTVMTVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-7-10(20-15-9)3-2-6-14-11(17)8-16-12(18)4-5-13(16)19/h7H,2-6,8H2,1H3,(H,14,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide is sourced from PubChem (CID 121016619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).