3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea

C22H25N3O2 — CID 46344237

IUPAC3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccccc1-c1nc(CN(C)C(=O)Nc2cccc(C)c2C)c(C)o1
InChIInChI=1S/C22H25N3O2/c1-14-10-8-12-19(16(14)3)24-22(26)25(5)13-20-17(4)27-21(23-20)18-11-7-6-9-15(18)2/h6-12H,13H2,1-5H3,(H,24,26)
InChIKeyKDJTTYCRYYTJFZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.24
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea

3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (PubChem CID 46344237) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
PubChem CID46344237
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccccc1-c1nc(CN(C)C(=O)Nc2cccc(C)c2C)c(C)o1
InChIInChI=1S/C22H25N3O2/c1-14-10-8-12-19(16(14)3)24-22(26)25(5)13-20-17(4)27-21(23-20)18-11-7-6-9-15(18)2/h6-12H,13H2,1-5H3,(H,24,26)
InChIKeyKDJTTYCRYYTJFZ-UHFFFAOYSA-N
XLogP5.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (CID 46344237) is 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is Cc1ccccc1-c1nc(CN(C)C(=O)Nc2cccc(C)c2C)c(C)o1.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The InChIKey is KDJTTYCRYYTJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-10-8-12-19(16(14)3)24-22(26)25(5)13-20-17(4)27-21(23-20)18-11-7-6-9-15(18)2/h6-12H,13H2,1-5H3,(H,24,26).
What are the key properties of 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea has a molecular weight of 363.46 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-methyl-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is sourced from PubChem (CID 46344237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).