2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

C21H16ClN3O2S — CID 71800634

IUPAC2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H16ClN3O2S/c22-16-8-3-1-6-14(16)12-19(26)23-17-9-4-2-7-15(17)13-20-24-21(25-27-20)18-10-5-11-28-18/h1-11H,12-13H2,(H,23,26)
InChIKeyYAHPVGDWXISXRL-UHFFFAOYSA-N
MW409.90 g/mol
LogP5.22
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 71800634) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
PubChem CID71800634
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC Name2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H16ClN3O2S/c22-16-8-3-1-6-14(16)12-19(26)23-17-9-4-2-7-15(17)13-20-24-21(25-27-20)18-10-5-11-28-18/h1-11H,12-13H2,(H,23,26)
InChIKeyYAHPVGDWXISXRL-UHFFFAOYSA-N
XLogP5.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.90
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-[4-(5-Phenethyl-1,2,4-oxadiazol-3-YL)phenyl]-2-thiophenecarboxamide
CID 1292624
N-(2-ethylphenyl)-3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 4208137
2-((4-fluorophenyl)thio)-N-(2-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800459
N-(2-{[3-(Thiophen-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)-2-(trifluoromethyl)benzamide
CID 71800625
1-(2-Fluorophenyl)-3-(2-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)urea
CID 71800650
N-[4-[5-[3-[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]thiophene-2-carboxamide
CID 168719875
N-[3-chloro-4-[5-[3-[[4-(cyclopropanecarbonylamino)-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 168719876
N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
CID 6459538
N-(2-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)thiophene-2-carboxamide
CID 71800451
2-(2-chlorophenyl)-N-(2-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800456
N-(2-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)thiophene-3-carboxamide
CID 71800463
1-(2-((3-Methyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)-3-(thiophen-2-yl)urea
CID 71800478

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 71800634) is 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The InChIKey is YAHPVGDWXISXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c22-16-8-3-1-6-14(16)12-19(26)23-17-9-4-2-7-15(17)13-20-24-21(25-27-20)18-10-5-11-28-18/h1-11H,12-13H2,(H,23,26).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71800634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).