3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide

C17H13BrFN3O2 — CID 100759410

IUPAC3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F
InChIInChI=1S/C17H13BrFN3O2/c18-12-7-5-11(6-8-12)17-21-16(24-22-17)10-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23)
InChIKeyFXDPIKSUFNGESW-UHFFFAOYSA-N
MW390.21 g/mol
LogP4.21
Rot. Bonds5

About 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 100759410) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
PubChem CID100759410
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F
InChIInChI=1S/C17H13BrFN3O2/c18-12-7-5-11(6-8-12)17-21-16(24-22-17)10-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23)
InChIKeyFXDPIKSUFNGESW-UHFFFAOYSA-N
XLogP4.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
CID 9278302
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3750282
[2-(2-fluoroanilino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665903
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
CID 100759349
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)propanamide
CID 100759355
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
CID 100759603
N-(5-acetamido-2-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24673840

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide (CID 100759410) is 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide is O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F.
What is the InChIKey of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is FXDPIKSUFNGESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c18-12-7-5-11(6-8-12)17-21-16(24-22-17)10-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23).
What are the key properties of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 390.21 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 100759410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).