JGA
- Molecular formula
- C7 H11 N3 O2
- Molecular weight (g/mol)
- 169.18
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
- SMILES
- CCNC(=O)Nc1cc(on1)C
- Isomeric SMILES
- CCNC(=O)Nc1cc(on1)C
- InChI
- InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
- InChIKey
- OLTOJZGRSVNYRB-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 2
- TPSA (Ų)
- 67.16
- cLogP
- 1.12
- Chiral atoms
- 0
- Molar refractivity
- 43.94
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.43
- Formal charge
- 0
Calculated properties
QED0.697
NPScore-0.691694195
SAScore6.965617506