N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide

C18H16ClN3O2S — CID 16854452

IUPACN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-25-15-8-6-12(7-9-15)10-16(23)20-18-22-21-17(24-18)13-4-3-5-14(19)11-13/h3-9,11H,2,10H2,1H3,(H,20,22,23)
InChIKeySMCGYYUJAPEHCG-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.68
Rot. Bonds6

About N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 16854452) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID16854452
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-25-15-8-6-12(7-9-15)10-16(23)20-18-22-21-17(24-18)13-4-3-5-14(19)11-13/h3-9,11H,2,10H2,1H3,(H,20,22,23)
InChIKeySMCGYYUJAPEHCG-UHFFFAOYSA-N
XLogP4.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 43976548
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 18586867
2-(4-ethylsulfanylphenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41139504
2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 18586837
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16823783
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
2-(4-chlorophenyl)sulfanyl-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43971918
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41228861
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43977845

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide (CID 16854452) is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1.
What is the InChIKey of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is SMCGYYUJAPEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-2-25-15-8-6-12(7-9-15)10-16(23)20-18-22-21-17(24-18)13-4-3-5-14(19)11-13/h3-9,11H,2,10H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 373.87 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 16854452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).