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

C21H16FN3O3S — CID 71800626

IUPAC2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H16FN3O3S/c22-15-7-2-4-9-17(15)27-13-19(26)23-16-8-3-1-6-14(16)12-20-24-21(25-28-20)18-10-5-11-29-18/h1-11H,12-13H2,(H,23,26)
InChIKeyCAZXUVXNNUKZOC-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.55
Rot. Bonds7

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

2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 71800626) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
PubChem CID71800626
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H16FN3O3S/c22-15-7-2-4-9-17(15)27-13-19(26)23-16-8-3-1-6-14(16)12-20-24-21(25-28-20)18-10-5-11-29-18/h1-11H,12-13H2,(H,23,26)
InChIKeyCAZXUVXNNUKZOC-UHFFFAOYSA-N
XLogP4.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767
N-(2-((3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2-(4-fluorophenoxy)acetamide
CID 71800489
2-((4-fluorophenyl)thio)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800589
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2-(methylthio)benzamide
CID 71800585
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-3-(phenylsulfonyl)propanamide
CID 71800592
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71800594
2,5-Dimethyl-N-(2-{[3-(thiophen-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)furan-3-carboxamide
CID 71800632
3-methyl-N-(2-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 71800633
1-(2-Ethoxyphenyl)-3-(2-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)urea
CID 71800653
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2-(thiophen-3-yl)acetamide
CID 72717421

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 71800626) is 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is O=C(COc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The InChIKey is CAZXUVXNNUKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-15-7-2-4-9-17(15)27-13-19(26)23-16-8-3-1-6-14(16)12-20-24-21(25-28-20)18-10-5-11-29-18/h1-11H,12-13H2,(H,23,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71800626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).