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

C12H11Cl2N3O2S — CID 43973089

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1CCCC1
InChIInChI=1S/C12H11Cl2N3O2S/c13-8-5-7(9(14)20-8)11-16-17-12(19-11)15-10(18)6-3-1-2-4-6/h5-6H,1-4H2,(H,15,17,18)
InChIKeyAANKEZLOMKWKNH-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.23
Rot. Bonds3

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

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide (PubChem CID 43973089) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
PubChem CID43973089
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1CCCC1
InChIInChI=1S/C12H11Cl2N3O2S/c13-8-5-7(9(14)20-8)11-16-17-12(19-11)15-10(18)6-3-1-2-4-6/h5-6H,1-4H2,(H,15,17,18)
InChIKeyAANKEZLOMKWKNH-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51695962
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973074
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 43973097
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 43973109
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
CID 43973061
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 90602745
5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43973094
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide (CID 43973089) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1CCCC1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is AANKEZLOMKWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c13-8-5-7(9(14)20-8)11-16-17-12(19-11)15-10(18)6-3-1-2-4-6/h5-6H,1-4H2,(H,15,17,18).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 332.21 g/mol, XLogP of 4.23, 3 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]cyclopentanecarboxamide is sourced from PubChem (CID 43973089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).