N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide

C15H11Cl2N3O4S — CID 43973071

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)c1
InChIInChI=1S/C15H11Cl2N3O4S/c1-22-7-3-4-10(23-2)8(5-7)13(21)18-15-20-19-14(24-15)9-6-11(16)25-12(9)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyJSWMWOPIDMGOPB-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.37
Rot. Bonds5

About N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide (PubChem CID 43973071) has the molecular formula C15H11Cl2N3O4S and a molecular weight of 400.24 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
PubChem CID43973071
Molecular FormulaC15H11Cl2N3O4S
Molecular Weight400.24 g/mol
Exact Mass398.98
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)c1
InChIInChI=1S/C15H11Cl2N3O4S/c1-22-7-3-4-10(23-2)8(5-7)13(21)18-15-20-19-14(24-15)9-6-11(16)25-12(9)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyJSWMWOPIDMGOPB-UHFFFAOYSA-N
XLogP4.37
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43973094
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4176864
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 45283573
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43977695
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide (CID 43973071) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)c1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The InChIKey is JSWMWOPIDMGOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S/c1-22-7-3-4-10(23-2)8(5-7)13(21)18-15-20-19-14(24-15)9-6-11(16)25-12(9)17/h3-6H,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide has a molecular weight of 400.24 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 43973071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).