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

C23H18BrN3O2 — CID 43976114

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C23H18BrN3O2/c24-19-13-7-12-18(14-19)22-26-27-23(29-22)25-21(28)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,25,27,28)
InChIKeyRBGLSQFYTHOIIJ-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.66
Rot. Bonds6

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

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide (PubChem CID 43976114) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
PubChem CID43976114
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C23H18BrN3O2/c24-19-13-7-12-18(14-19)22-26-27-23(29-22)25-21(28)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,25,27,28)
InChIKeyRBGLSQFYTHOIIJ-UHFFFAOYSA-N
XLogP5.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976657
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43976109
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 43976334
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43976308
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913092
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
CID 7227751

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide (CID 43976114) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
The InChIKey is RBGLSQFYTHOIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-19-13-7-12-18(14-19)22-26-27-23(29-22)25-21(28)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,25,27,28).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide has a molecular weight of 448.32 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 43976114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).