1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea

C23H26FN3O2 — CID 51070627

IUPAC1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea
SMILESCCCNC(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccc(C)cc2C)on1
InChIInChI=1S/C23H26FN3O2/c1-4-11-25-23(28)27(14-18-6-8-19(24)9-7-18)15-20-13-22(29-26-20)21-10-5-16(2)12-17(21)3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,25,28)
InChIKeyMBAQSOQMNXPUFX-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.22
Rot. Bonds7

About 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea

1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea (PubChem CID 51070627) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea
PubChem CID51070627
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea
SMILESCCCNC(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccc(C)cc2C)on1
InChIInChI=1S/C23H26FN3O2/c1-4-11-25-23(28)27(14-18-6-8-19(24)9-7-18)15-20-13-22(29-26-20)21-10-5-16(2)12-17(21)3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,25,28)
InChIKeyMBAQSOQMNXPUFX-UHFFFAOYSA-N
XLogP5.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea 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-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea?
The IUPAC name of 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea (CID 51070627) is 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea?
The canonical SMILES for 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea is CCCNC(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccc(C)cc2C)on1.
What is the InChIKey of 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea?
The InChIKey is MBAQSOQMNXPUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-11-25-23(28)27(14-18-6-8-19(24)9-7-18)15-20-13-22(29-26-20)21-10-5-16(2)12-17(21)3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,25,28).
What are the key properties of 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea?
1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea has a molecular weight of 395.48 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propylurea is sourced from PubChem (CID 51070627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).