2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

C15H11Cl2N3O4S — CID 4046899

IUPAC2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c(OC)c1
InChIInChI=1S/C15H11Cl2N3O4S/c1-22-7-3-4-8(10(5-7)23-2)14-19-20-15(24-14)18-13(21)9-6-11(16)25-12(9)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyUXEVMOJGHCTHRH-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.37
Rot. Bonds5

About 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 4046899) has the molecular formula C15H11Cl2N3O4S and a molecular weight of 400.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
PubChem CID4046899
Molecular FormulaC15H11Cl2N3O4S
Molecular Weight400.24 g/mol
Exact Mass398.98
IUPAC Name2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c(OC)c1
InChIInChI=1S/C15H11Cl2N3O4S/c1-22-7-3-4-8(10(5-7)23-2)14-19-20-15(24-14)18-13(21)9-6-11(16)25-12(9)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyUXEVMOJGHCTHRH-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (CID 4046899) is 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c(OC)c1.
What is the InChIKey of 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is UXEVMOJGHCTHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S/c1-22-7-3-4-8(10(5-7)23-2)14-19-20-15(24-14)18-13(21)9-6-11(16)25-12(9)17/h3-6H,1-2H3,(H,18,20,21).
What are the key properties of 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide 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 2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 4046899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).