1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C19H19N3O2 — CID 108812578

IUPAC1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H19N3O2/c1-3-14-11-7-8-13(2)18(14)21-19(23)20-17-12-16(24-22-17)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyVWGOSSPKBHYNDP-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.86
Rot. Bonds4

About 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812578) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812578
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H19N3O2/c1-3-14-11-7-8-13(2)18(14)21-19(23)20-17-12-16(24-22-17)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyVWGOSSPKBHYNDP-UHFFFAOYSA-N
XLogP4.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812503
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
N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108512068
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
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
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812578) is 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is CCc1cccc(C)c1NC(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is VWGOSSPKBHYNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-14-11-7-8-13(2)18(14)21-19(23)20-17-12-16(24-22-17)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).