4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C18H14FN3O3S — CID 7205279

IUPAC4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C18H14FN3O3S/c19-14-8-6-13(7-9-14)17(24)20-10-16-21-22-18(25-16)26-11-15(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,24)
InChIKeyPLMOXWCWPGYAGO-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.11
Rot. Bonds7

About 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 7205279) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID7205279
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C18H14FN3O3S/c19-14-8-6-13(7-9-14)17(24)20-10-16-21-22-18(25-16)26-11-15(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,24)
InChIKeyPLMOXWCWPGYAGO-UHFFFAOYSA-N
XLogP3.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 18562109
N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502147
4-fluoro-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205260
N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
CID 18562132
N-[[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502145
4-fluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502338
N-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502166
N-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502104
(2-chlorophenyl) 2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 20896275
4-fluoro-N-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502346
4-fluoro-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 18562088
4-fluoro-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205274

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 7205279) is 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is PLMOXWCWPGYAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-14-8-6-13(7-9-14)17(24)20-10-16-21-22-18(25-16)26-11-15(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,24).
What are the key properties of 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 7205279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).