1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C16H11Cl2N3O2 — CID 108812735

IUPAC1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H11Cl2N3O2/c17-11-6-12(18)8-13(7-11)19-16(22)20-15-9-14(23-21-15)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
InChIKeyMYJPISKXTMAZLX-UHFFFAOYSA-N
MW348.19 g/mol
LogP5.29
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812735) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812735
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H11Cl2N3O2/c17-11-6-12(18)8-13(7-11)19-16(22)20-15-9-14(23-21-15)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
InChIKeyMYJPISKXTMAZLX-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-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812735) is 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is MYJPISKXTMAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-11-6-12(18)8-13(7-11)19-16(22)20-15-9-14(23-21-15)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-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-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).