1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea

C14H17N3O2 — CID 108811838

IUPAC1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1ccon1
InChIInChI=1S/C14H17N3O2/c1-3-10-6-5-7-11(4-2)13(10)16-14(18)15-12-8-9-19-17-12/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyTUNCGEFNYBUKJB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea

1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811838) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID108811838
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1ccon1
InChIInChI=1S/C14H17N3O2/c1-3-10-6-5-7-11(4-2)13(10)16-14(18)15-12-8-9-19-17-12/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyTUNCGEFNYBUKJB-UHFFFAOYSA-N
XLogP3.44
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811956
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
CID 14050947
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(2,6-diethylphenyl)-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111601392
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
2-(hydroxymethyl)-N-(1,2-oxazol-3-yl)benzamide
CID 163613647
N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 18588609
1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea
CID 108811852
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 17217746

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea (CID 108811838) is 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea is CCc1cccc(CC)c1NC(=O)Nc1ccon1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is TUNCGEFNYBUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10-6-5-7-11(4-2)13(10)16-14(18)15-12-8-9-19-17-12/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea?
1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 259.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).