1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C12H17N3O3 — CID 72879217

IUPAC1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(C)Cc2ccon2)CC1=O
InChIInChI=1S/C12H17N3O3/c1-3-15-7-9(6-11(15)16)12(17)14(2)8-10-4-5-18-13-10/h4-5,9H,3,6-8H2,1-2H3
InChIKeyHOCXHEGPKFIYNV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.50
Rot. Bonds4

About 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 72879217) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID72879217
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(C)Cc2ccon2)CC1=O
InChIInChI=1S/C12H17N3O3/c1-3-15-7-9(6-11(15)16)12(17)14(2)8-10-4-5-18-13-10/h4-5,9H,3,6-8H2,1-2H3
InChIKeyHOCXHEGPKFIYNV-UHFFFAOYSA-N
XLogP0.50
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 72879217) is 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)N(C)Cc2ccon2)CC1=O.
What is the InChIKey of 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOCXHEGPKFIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15-7-9(6-11(15)16)12(17)14(2)8-10-4-5-18-13-10/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72879217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).