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

C17H15N3O2 — CID 108812555

IUPAC1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H15N3O2/c21-17(18-12-13-7-3-1-4-8-13)19-16-11-15(22-20-16)14-9-5-2-6-10-14/h1-11H,12H2,(H2,18,19,20,21)
InChIKeySNTKLKQXYNORGF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.66
Rot. Bonds4

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

1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812555) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812555
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H15N3O2/c21-17(18-12-13-7-3-1-4-8-13)19-16-11-15(22-20-16)14-9-5-2-6-10-14/h1-11H,12H2,(H2,18,19,20,21)
InChIKeySNTKLKQXYNORGF-UHFFFAOYSA-N
XLogP3.66
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812555) is 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(NCc1ccccc1)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is SNTKLKQXYNORGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(18-12-13-7-3-1-4-8-13)19-16-11-15(22-20-16)14-9-5-2-6-10-14/h1-11H,12H2,(H2,18,19,20,21).
What are the key properties of 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 293.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).