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

C17H14BrN3O2S — CID 43976222

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H14BrN3O2S/c18-13-6-4-5-12(11-13)16-20-21-17(23-16)19-15(22)9-10-24-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,19,21,22)
InChIKeyIJACDUSPRKZIMV-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.62
Rot. Bonds6

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

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide (PubChem CID 43976222) has the molecular formula C17H14BrN3O2S and a molecular weight of 404.29 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
PubChem CID43976222
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.29 g/mol
Exact Mass403.00
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H14BrN3O2S/c18-13-6-4-5-12(11-13)16-20-21-17(23-16)19-15(22)9-10-24-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,19,21,22)
InChIKeyIJACDUSPRKZIMV-UHFFFAOYSA-N
XLogP4.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
3-(4-fluorophenyl)sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 7254939
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43976527
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7578299
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
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
CID 91622666
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 41271705
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 43976334

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide (CID 43976222) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide?
The InChIKey is IJACDUSPRKZIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2S/c18-13-6-4-5-12(11-13)16-20-21-17(23-16)19-15(22)9-10-24-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,19,21,22).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide has a molecular weight of 404.29 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 43976222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).