1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea

C13H15N3O2 — CID 108814001

IUPAC1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2ccno2)c(C)c1
InChIInChI=1S/C13H15N3O2/c1-8-6-9(2)12(10(3)7-8)16-13(17)15-11-4-5-14-18-11/h4-7H,1-3H3,(H2,15,16,17)
InChIKeyNOSQIFKZZKSVDS-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.24
Rot. Bonds2

About 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea

1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108814001) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID108814001
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2ccno2)c(C)c1
InChIInChI=1S/C13H15N3O2/c1-8-6-9(2)12(10(3)7-8)16-13(17)15-11-4-5-14-18-11/h4-7H,1-3H3,(H2,15,16,17)
InChIKeyNOSQIFKZZKSVDS-UHFFFAOYSA-N
XLogP3.24
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
2-(1,2-oxazol-5-ylcarbamoylamino)benzamide
CID 108814132
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 3759516
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108913521
(2S)-3-hydroxy-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 61181326
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 66167337

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea (CID 108814001) is 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)Nc2ccno2)c(C)c1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is NOSQIFKZZKSVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-9(2)12(10(3)7-8)16-13(17)15-11-4-5-14-18-11/h4-7H,1-3H3,(H2,15,16,17).
What are the key properties of 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea?
1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 245.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108814001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).