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

C18H16ClN3O3 — CID 8719964

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-24-15-9-3-12(4-10-15)11-16(23)20-18-22-21-17(25-18)13-5-7-14(19)8-6-13/h3-10H,2,11H2,1H3,(H,20,22,23)
InChIKeyLNOXLBFKGYTQLS-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.97
Rot. Bonds6

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 8719964) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
PubChem CID8719964
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-24-15-9-3-12(4-10-15)11-16(23)20-18-22-21-17(25-18)13-5-7-14(19)8-6-13/h3-10H,2,11H2,1H3,(H,20,22,23)
InChIKeyLNOXLBFKGYTQLS-UHFFFAOYSA-N
XLogP3.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43975741
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
CID 43975595
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43977536
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975649
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide (CID 8719964) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is LNOXLBFKGYTQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-24-15-9-3-12(4-10-15)11-16(23)20-18-22-21-17(25-18)13-5-7-14(19)8-6-13/h3-10H,2,11H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 8719964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).