1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C11H16N4O3 — CID 108813908

IUPAC1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccno1
InChIInChI=1S/C11H16N4O3/c16-10-3-1-7-15(10)8-2-5-12-11(17)14-9-4-6-13-18-9/h4,6H,1-3,5,7-8H2,(H2,12,14,17)
InChIKeyJMEYKDAZDRTHBR-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.81
Rot. Bonds5

About 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 108813908) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID108813908
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccno1
InChIInChI=1S/C11H16N4O3/c16-10-3-1-7-15(10)8-2-5-12-11(17)14-9-4-6-13-18-9/h4,6H,1-3,5,7-8H2,(H2,12,14,17)
InChIKeyJMEYKDAZDRTHBR-UHFFFAOYSA-N
XLogP0.81
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 108813908) is 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)Nc1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is JMEYKDAZDRTHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10-3-1-7-15(10)8-2-5-12-11(17)14-9-4-6-13-18-9/h4,6H,1-3,5,7-8H2,(H2,12,14,17).
What are the key properties of 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 252.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 108813908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).