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

C13H6BrCl2N3O2S — CID 43976895

IUPAC5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)s1
InChIInChI=1S/C13H6BrCl2N3O2S/c14-10-4-3-9(22-10)11(20)17-13-19-18-12(21-13)7-2-1-6(15)5-8(7)16/h1-5H,(H,17,19,20)
InChIKeyUZXPSSXOWMZXJZ-UHFFFAOYSA-N
MW419.09 g/mol
LogP5.12
Rot. Bonds3

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

5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 43976895) has the molecular formula C13H6BrCl2N3O2S and a molecular weight of 419.09 g/mol. Its IUPAC name is 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID43976895
Molecular FormulaC13H6BrCl2N3O2S
Molecular Weight419.09 g/mol
Exact Mass416.87
IUPAC Name5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)s1
InChIInChI=1S/C13H6BrCl2N3O2S/c14-10-4-3-9(22-10)11(20)17-13-19-18-12(21-13)7-2-1-6(15)5-8(7)16/h1-5H,(H,17,19,20)
InChIKeyUZXPSSXOWMZXJZ-UHFFFAOYSA-N
XLogP5.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.09
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16821719
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43976962
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 43976965
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43977052
5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4176864
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
methyl 2-[(5-bromothiophene-2-carbonyl)amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylate
CID 2167835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 43976895) is 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is UZXPSSXOWMZXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2N3O2S/c14-10-4-3-9(22-10)11(20)17-13-19-18-12(21-13)7-2-1-6(15)5-8(7)16/h1-5H,(H,17,19,20).
What are the key properties of 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 419.09 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43976895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).