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

C16H11Cl2N3O2 — CID 110402543

IUPAC1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2N3O2/c17-11-3-1-10(2-4-11)14-9-19-23-15(14)21-16(22)20-13-7-5-12(18)6-8-13/h1-9H,(H2,20,21,22)
InChIKeyGBDFBZACUOECTJ-UHFFFAOYSA-N
MW348.19 g/mol
LogP5.29
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea (PubChem CID 110402543) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
PubChem CID110402543
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2N3O2/c17-11-3-1-10(2-4-11)14-9-19-23-15(14)21-16(22)20-13-7-5-12(18)6-8-13/h1-9H,(H2,20,21,22)
InChIKeyGBDFBZACUOECTJ-UHFFFAOYSA-N
XLogP5.29
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.19
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
CID 110402542
3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
CID 110402559
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
CID 110402562
1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
CID 110402667
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217
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
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
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-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea (CID 110402543) is 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1oncc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
The InChIKey is GBDFBZACUOECTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-11-3-1-10(2-4-11)14-9-19-23-15(14)21-16(22)20-13-7-5-12(18)6-8-13/h1-9H,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea has a molecular weight of 348.19 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 110402543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).