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

C12H17N3O3 — CID 2225426

IUPAC5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCC2=O)no1
InChIInChI=1S/C12H17N3O3/c1-9-8-10(14-18-9)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyTTZUVYWWXWPSFC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.73
Rot. Bonds5

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

5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 2225426) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID2225426
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCC2=O)no1
InChIInChI=1S/C12H17N3O3/c1-9-8-10(14-18-9)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyTTZUVYWWXWPSFC-UHFFFAOYSA-N
XLogP0.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.73
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 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide (CID 2225426) is 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCN2CCCC2=O)no1.
What is the InChIKey of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is TTZUVYWWXWPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-8-10(14-18-9)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17).
What are the key properties of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2225426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).