2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide

C21H16FN3O3S — CID 71800589

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H16FN3O3S/c22-15-7-9-16(10-8-15)29-13-19(26)23-17-5-2-1-4-14(17)12-20-24-21(25-28-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26)
InChIKeyHQTGROXCONVRQQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.79
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 71800589) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID71800589
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H16FN3O3S/c22-15-7-9-16(10-8-15)29-13-19(26)23-17-5-2-1-4-14(17)12-20-24-21(25-28-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26)
InChIKeyHQTGROXCONVRQQ-UHFFFAOYSA-N
XLogP4.79
TPSA81.16 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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide with MolForge

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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-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 3237564
N-(4-ethylphenyl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 16015273
N-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 674571
3-(Furan-2-yl)-5-(3-isothiocyanato-4-phenylsulfanylphenyl)-1,2,4-oxadiazole
CID 44274430
2-chloro-6-fluoro-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)benzamide
CID 71800575
N-(2-{[3-(Furan-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)-2-(trifluoromethyl)benzamide
CID 71800576
2-(2-fluorophenoxy)-N-(2-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800626
N-(o-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)-(S)-1-(p-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 97427101
(E)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2-(p-tolyl)ethenesulfonamide
CID 72717425
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 71800566
Methyl 4-[(2-{[3-(furan-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)carbamoyl]benzoate
CID 71800568

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 71800589) is 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is HQTGROXCONVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-15-7-9-16(10-8-15)29-13-19(26)23-17-5-2-1-4-14(17)12-20-24-21(25-28-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 71800589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).