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

C12H17N3O4 — CID 71802447

IUPAC3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCCN2CCCC2=O)on1
InChIInChI=1S/C12H17N3O4/c1-18-10-8-9(19-14-10)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyOYZLMNCSKDMASQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.43
Rot. Bonds6

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

3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide (PubChem CID 71802447) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide
PubChem CID71802447
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCCN2CCCC2=O)on1
InChIInChI=1S/C12H17N3O4/c1-18-10-8-9(19-14-10)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyOYZLMNCSKDMASQ-UHFFFAOYSA-N
XLogP0.43
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide (CID 71802447) is 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCCCN2CCCC2=O)on1.
What is the InChIKey of 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OYZLMNCSKDMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-10-8-9(19-14-10)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 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).