N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C17H14BrN3O2 — CID 29199706

IUPACN-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrN3O2/c18-13-7-4-8-14(11-13)19-15(22)9-10-16-20-21-17(23-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)
InChIKeyINOHQJVWHQUQGB-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.07
Rot. Bonds5

About N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 29199706) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID29199706
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrN3O2/c18-13-7-4-8-14(11-13)19-15(22)9-10-16-20-21-17(23-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)
InChIKeyINOHQJVWHQUQGB-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330596
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
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N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
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3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 29199706) is N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is INOHQJVWHQUQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-13-7-4-8-14(11-13)19-15(22)9-10-16-20-21-17(23-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22).
What are the key properties of N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 372.22 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 29199706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).