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

C19H18FN3O2S — CID 50759789

IUPACN-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSCc2nc(-c3cccc(F)c3)no2)cc1
InChIInChI=1S/C19H18FN3O2S/c1-2-13-6-8-16(9-7-13)21-17(24)11-26-12-18-22-19(23-25-18)14-4-3-5-15(20)10-14/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyUMDIMHQUGWPVPT-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.31
Rot. Bonds7

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

N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (PubChem CID 50759789) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
PubChem CID50759789
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSCc2nc(-c3cccc(F)c3)no2)cc1
InChIInChI=1S/C19H18FN3O2S/c1-2-13-6-8-16(9-7-13)21-17(24)11-26-12-18-22-19(23-25-18)14-4-3-5-15(20)10-14/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyUMDIMHQUGWPVPT-UHFFFAOYSA-N
XLogP4.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46581049
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 50759800
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
N-(3-fluorophenyl)-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
CID 55570611
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 50759639
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
N-(2-ethylphenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754661
N-benzyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 55571061
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 167948707
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
5-[(3-fluorophenyl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 78845533

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (CID 50759789) is N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is CCc1ccc(NC(=O)CSCc2nc(-c3cccc(F)c3)no2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The InChIKey is UMDIMHQUGWPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-2-13-6-8-16(9-7-13)21-17(24)11-26-12-18-22-19(23-25-18)14-4-3-5-15(20)10-14/h3-10H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 50759789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).