3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea

C12H12ClN3O2 — CID 110402559

IUPAC3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-16(2)12(17)15-11-10(7-14-18-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,15,17)
InChIKeyZQOOIWUHEQZUJJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.09
Rot. Bonds2

About 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea

3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea (PubChem CID 110402559) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
PubChem CID110402559
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-16(2)12(17)15-11-10(7-14-18-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,15,17)
InChIKeyZQOOIWUHEQZUJJ-UHFFFAOYSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110402543
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
CID 110402542
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
CID 110402562
3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402619
4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217
2-(dimethylamino)-N-(4-phenyl-1,2-oxazol-5-yl)acetamide
CID 118895396
2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402661
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea
CID 10536010
2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 45030874
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide
CID 162633742

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea (CID 110402559) is 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea is CN(C)C(=O)Nc1oncc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea?
The InChIKey is ZQOOIWUHEQZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16(2)12(17)15-11-10(7-14-18-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,15,17).
What are the key properties of 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea?
3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea has a molecular weight of 265.70 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea is sourced from PubChem (CID 110402559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).