N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide

C18H15Cl2N3O2S — CID 43976527

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C18H15Cl2N3O2S/c19-13-9-12(10-14(20)11-13)17-22-23-18(25-17)21-16(24)7-4-8-26-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,21,23,24)
InChIKeyHZVPFTRVFUMHNQ-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.55
Rot. Bonds7

About N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide (PubChem CID 43976527) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
PubChem CID43976527
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C18H15Cl2N3O2S/c19-13-9-12(10-14(20)11-13)17-22-23-18(25-17)21-16(24)7-4-8-26-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,21,23,24)
InChIKeyHZVPFTRVFUMHNQ-UHFFFAOYSA-N
XLogP5.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085860
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 43976548
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085928
3-(4-fluorophenyl)sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 7254939
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
CID 16917444
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 16854243
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976455

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide (CID 43976527) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide?
The InChIKey is HZVPFTRVFUMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-13-9-12(10-14(20)11-13)17-22-23-18(25-17)21-16(24)7-4-8-26-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,21,23,24).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide?
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide has a molecular weight of 408.31 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 43976527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).