1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea

C18H18N4O2 — CID 46361374

IUPAC1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(-c3noc(C)n3)c2)c(C)c1
InChIInChI=1S/C18H18N4O2/c1-11-7-8-16(12(2)9-11)21-18(23)20-15-6-4-5-14(10-15)17-19-13(3)24-22-17/h4-10H,1-3H3,(H2,20,21,23)
InChIKeyUSSJSIMKGKTCTE-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.31
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 46361374) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID46361374
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(-c3noc(C)n3)c2)c(C)c1
InChIInChI=1S/C18H18N4O2/c1-11-7-8-16(12(2)9-11)21-18(23)20-15-6-4-5-14(10-15)17-19-13(3)24-22-17/h4-10H,1-3H3,(H2,20,21,23)
InChIKeyUSSJSIMKGKTCTE-UHFFFAOYSA-N
XLogP4.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]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-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778328
1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50830004
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 46361374) is 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(-c3noc(C)n3)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is USSJSIMKGKTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-8-16(12(2)9-11)21-18(23)20-15-6-4-5-14(10-15)17-19-13(3)24-22-17/h4-10H,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 46361374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).