1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione

C10H12N2O3 — CID 106373074

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione
SMILESCCc1cnc(CN2CCC(=O)C2=O)o1
InChIInChI=1S/C10H12N2O3/c1-2-7-5-11-9(15-7)6-12-4-3-8(13)10(12)14/h5H,2-4,6H2,1H3
InChIKeyWCOJCAZQDGCNLB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.54
Rot. Bonds3

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione (PubChem CID 106373074) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione
PubChem CID106373074
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione
SMILESCCc1cnc(CN2CCC(=O)C2=O)o1
InChIInChI=1S/C10H12N2O3/c1-2-7-5-11-9(15-7)6-12-4-3-8(13)10(12)14/h5H,2-4,6H2,1H3
InChIKeyWCOJCAZQDGCNLB-UHFFFAOYSA-N
XLogP0.54
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione (CID 106373074) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione is CCc1cnc(CN2CCC(=O)C2=O)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione?
The InChIKey is WCOJCAZQDGCNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-7-5-11-9(15-7)6-12-4-3-8(13)10(12)14/h5H,2-4,6H2,1H3.
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione has a molecular weight of 208.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 106373074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).