N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide

C21H16FN3O3S — CID 53163758

IUPACN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-27-16-8-2-13(3-9-16)12-18(26)23-17-10-11-29-19(17)21-24-20(25-28-21)14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,23,26)
InChIKeyDEXDQNFANCBPDD-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.79
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 53163758) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID53163758
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-27-16-8-2-13(3-9-16)12-18(26)23-17-10-11-29-19(17)21-24-20(25-28-21)14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,23,26)
InChIKeyDEXDQNFANCBPDD-UHFFFAOYSA-N
XLogP4.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide
CID 53163730
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
CID 46869740
N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 53163789
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 39867097
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
4-fluoro-N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163882
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide (CID 53163758) is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DEXDQNFANCBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-27-16-8-2-13(3-9-16)12-18(26)23-17-10-11-29-19(17)21-24-20(25-28-21)14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53163758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).