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

C17H15BrN4O2 — CID 50778328

IUPAC1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c(Br)c1
InChIInChI=1S/C17H15BrN4O2/c1-10-3-8-15(14(18)9-10)21-17(23)20-13-6-4-12(5-7-13)16-19-11(2)24-22-16/h3-9H,1-2H3,(H2,20,21,23)
InChIKeyOIJHHVNSTNYHDZ-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.76
Rot. Bonds3

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

1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 50778328) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID50778328
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c(Br)c1
InChIInChI=1S/C17H15BrN4O2/c1-10-3-8-15(14(18)9-10)21-17(23)20-13-6-4-12(5-7-13)16-19-11(2)24-22-16/h3-9H,1-2H3,(H2,20,21,23)
InChIKeyOIJHHVNSTNYHDZ-UHFFFAOYSA-N
XLogP4.76
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361356
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374
1-(3,4-difluorophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778209
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 50778328) is 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is OIJHHVNSTNYHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-10-3-8-15(14(18)9-10)21-17(23)20-13-6-4-12(5-7-13)16-19-11(2)24-22-16/h3-9H,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 387.24 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 50778328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).