3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide

C13H19N3O3 — CID 2225560

IUPAC3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H19N3O3/c1-9-12(10(2)19-15-9)13(18)14-6-4-8-16-7-3-5-11(16)17/h3-8H2,1-2H3,(H,14,18)
InChIKeyKFKQUCVOBUZIDG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds5

About 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 2225560) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID2225560
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H19N3O3/c1-9-12(10(2)19-15-9)13(18)14-6-4-8-16-7-3-5-11(16)17/h3-8H2,1-2H3,(H,14,18)
InChIKeyKFKQUCVOBUZIDG-UHFFFAOYSA-N
XLogP1.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide (CID 2225560) is 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is KFKQUCVOBUZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-12(10(2)19-15-9)13(18)14-6-4-8-16-7-3-5-11(16)17/h3-8H2,1-2H3,(H,14,18).
What are the key properties of 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2225560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).