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

C14H8Cl3N3O3S — CID 43973094

IUPAC5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C14H8Cl3N3O3S/c1-22-9-3-2-6(15)4-7(9)12(21)18-14-20-19-13(23-14)8-5-10(16)24-11(8)17/h2-5H,1H3,(H,18,20,21)
InChIKeyIXVXOFQJCSSHPX-UHFFFAOYSA-N
MW404.66 g/mol
LogP5.02
Rot. Bonds4

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

5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide (PubChem CID 43973094) has the molecular formula C14H8Cl3N3O3S and a molecular weight of 404.66 g/mol. Its IUPAC name is 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
PubChem CID43973094
Molecular FormulaC14H8Cl3N3O3S
Molecular Weight404.66 g/mol
Exact Mass402.94
IUPAC Name5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C14H8Cl3N3O3S/c1-22-9-3-2-6(15)4-7(9)12(21)18-14-20-19-13(23-14)8-5-10(16)24-11(8)17/h2-5H,1H3,(H,18,20,21)
InChIKeyIXVXOFQJCSSHPX-UHFFFAOYSA-N
XLogP5.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.66
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977382
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 7533192
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
2,5-dichloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16854738
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 43973097
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide (CID 43973094) is 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1.
What is the InChIKey of 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is IXVXOFQJCSSHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O3S/c1-22-9-3-2-6(15)4-7(9)12(21)18-14-20-19-13(23-14)8-5-10(16)24-11(8)17/h2-5H,1H3,(H,18,20,21).
What are the key properties of 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 404.66 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 43973094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).