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

C20H13Cl2N3O2S — CID 43973109

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C20H13Cl2N3O2S/c21-16-11-15(18(22)28-16)19-24-25-20(27-19)23-17(26)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,23,25,26)
InChIKeyJYSNAWLLTKXWQX-UHFFFAOYSA-N
MW430.32 g/mol
LogP5.95
Rot. Bonds5

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

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 43973109) has the molecular formula C20H13Cl2N3O2S and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
PubChem CID43973109
Molecular FormulaC20H13Cl2N3O2S
Molecular Weight430.32 g/mol
Exact Mass429.01
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C20H13Cl2N3O2S/c21-16-11-15(18(22)28-16)19-24-25-20(27-19)23-17(26)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,23,25,26)
InChIKeyJYSNAWLLTKXWQX-UHFFFAOYSA-N
XLogP5.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43973064
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
CID 43973061
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362573
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
2-phenyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4094091
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 43973027
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
CID 43973089

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide (CID 43973109) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is JYSNAWLLTKXWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2S/c21-16-11-15(18(22)28-16)19-24-25-20(27-19)23-17(26)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,23,25,26).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 430.32 g/mol, XLogP of 5.95, 5 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-(4-phenylphenyl)acetamide is sourced from PubChem (CID 43973109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).