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

C16H13Cl2N3O2S — CID 43973061

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1C
InChIInChI=1S/C16H13Cl2N3O2S/c1-8-3-4-10(5-9(8)2)6-13(22)19-16-21-20-15(23-16)11-7-12(17)24-14(11)18/h3-5,7H,6H2,1-2H3,(H,19,21,22)
InChIKeyBFRBTUGWYVXXSA-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.90
Rot. Bonds4

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

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 43973061) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID43973061
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1C
InChIInChI=1S/C16H13Cl2N3O2S/c1-8-3-4-10(5-9(8)2)6-13(22)19-16-21-20-15(23-16)11-7-12(17)24-14(11)18/h3-5,7H,6H2,1-2H3,(H,19,21,22)
InChIKeyBFRBTUGWYVXXSA-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide (CID 43973061) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1C.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is BFRBTUGWYVXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-8-3-4-10(5-9(8)2)6-13(22)19-16-21-20-15(23-16)11-7-12(17)24-14(11)18/h3-5,7H,6H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 382.27 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 43973061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).