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

C15H11Cl2N3O2S — CID 16823622

IUPAC2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1C
InChIInChI=1S/C15H11Cl2N3O2S/c1-7-3-4-9(5-8(7)2)14-19-20-15(22-14)18-13(21)10-6-11(16)23-12(10)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyAPCZPKJPRJLRPA-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.97
Rot. Bonds3

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

2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 16823622) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
PubChem CID16823622
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1C
InChIInChI=1S/C15H11Cl2N3O2S/c1-7-3-4-9(5-8(7)2)14-19-20-15(22-14)18-13(21)10-6-11(16)23-12(10)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyAPCZPKJPRJLRPA-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16854738
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 41375411
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43973094
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
CID 43973061
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071
2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 3638452
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
2-(2,4-dichlorophenoxy)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 8698844
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (CID 16823622) is 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1C.
What is the InChIKey of 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is APCZPKJPRJLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-7-3-4-9(5-8(7)2)14-19-20-15(22-14)18-13(21)10-6-11(16)23-12(10)17/h3-6H,1-2H3,(H,18,20,21).
What are the key properties of 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 368.25 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 16823622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).