1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C16H13N3O3 — CID 108812516

IUPAC1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H13N3O3/c20-13-8-6-12(7-9-13)17-16(21)18-15-10-14(22-19-15)11-4-2-1-3-5-11/h1-10,20H,(H2,17,18,19,21)
InChIKeyAGEDFJLFWKSJLC-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.69
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812516) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812516
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H13N3O3/c20-13-8-6-12(7-9-13)17-16(21)18-15-10-14(22-19-15)11-4-2-1-3-5-11/h1-10,20H,(H2,17,18,19,21)
InChIKeyAGEDFJLFWKSJLC-UHFFFAOYSA-N
XLogP3.69
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
N-(4-hydroxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 155556405
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812503
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812516) is 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(Nc1ccc(O)cc1)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is AGEDFJLFWKSJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-13-8-6-12(7-9-13)17-16(21)18-15-10-14(22-19-15)11-4-2-1-3-5-11/h1-10,20H,(H2,17,18,19,21).
What are the key properties of 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 295.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).