N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H17BrFN3O2 — CID 55924078

IUPACN-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)c(C)c3)n2)cc1F
InChIInChI=1S/C19H17BrFN3O2/c1-11-3-4-13(10-16(11)21)19-23-18(26-24-19)8-7-17(25)22-14-5-6-15(20)12(2)9-14/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyHRHQSLQBYATFSS-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.83
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55924078) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55924078
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)c(C)c3)n2)cc1F
InChIInChI=1S/C19H17BrFN3O2/c1-11-3-4-13(10-16(11)21)19-23-18(26-24-19)8-7-17(25)22-14-5-6-15(20)12(2)9-14/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyHRHQSLQBYATFSS-UHFFFAOYSA-N
XLogP4.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547348
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55923884
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-iodophenyl)propanamide
CID 55925235
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55960120
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 55925251
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
N-(3-aminopropyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406192
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methoxyphenoxy)phenyl]propanamide
CID 55925263
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257330

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55924078) is N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)c(C)c3)n2)cc1F.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HRHQSLQBYATFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c1-11-3-4-13(10-16(11)21)19-23-18(26-24-19)8-7-17(25)22-14-5-6-15(20)12(2)9-14/h3-6,9-10H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 418.27 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55924078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).