1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C13H15N3O2 — CID 3076190

IUPAC1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2c(C)cccc2C)no1
InChIInChI=1S/C13H15N3O2/c1-8-5-4-6-9(2)12(8)15-13(17)14-11-7-10(3)18-16-11/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyHUODFDFUGXYPJO-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.24
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 3076190) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID3076190
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2c(C)cccc2C)no1
InChIInChI=1S/C13H15N3O2/c1-8-5-4-6-9(2)12(8)15-13(17)14-11-7-10(3)18-16-11/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyHUODFDFUGXYPJO-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 3076190) is 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2c(C)cccc2C)no1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is HUODFDFUGXYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-5-4-6-9(2)12(8)15-13(17)14-11-7-10(3)18-16-11/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)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-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 3076190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).