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

C23H20FN3O3S — CID 50785945

IUPACN-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide
SMILESCc1cccc(-c2noc(-c3ccc(CSCC(=O)NCc4ccc(F)cc4)o3)n2)c1
InChIInChI=1S/C23H20FN3O3S/c1-15-3-2-4-17(11-15)22-26-23(30-27-22)20-10-9-19(29-20)13-31-14-21(28)25-12-16-5-7-18(24)8-6-16/h2-11H,12-14H2,1H3,(H,25,28)
InChIKeyCGTWTRQXMJDDHL-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.99
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide (PubChem CID 50785945) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide
PubChem CID50785945
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide
SMILESCc1cccc(-c2noc(-c3ccc(CSCC(=O)NCc4ccc(F)cc4)o3)n2)c1
InChIInChI=1S/C23H20FN3O3S/c1-15-3-2-4-17(11-15)22-26-23(30-27-22)20-10-9-19(29-20)13-31-14-21(28)25-12-16-5-7-18(24)8-6-16/h2-11H,12-14H2,1H3,(H,25,28)
InChIKeyCGTWTRQXMJDDHL-UHFFFAOYSA-N
XLogP4.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53128070
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-benzyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 55571061
5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 50786069
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 8836810
4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755693
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
N-benzyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367622
2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
2-(4-ethoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110322807
3-(3-methylphenyl)-5-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077146

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide (CID 50785945) is N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide is Cc1cccc(-c2noc(-c3ccc(CSCC(=O)NCc4ccc(F)cc4)o3)n2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide?
The InChIKey is CGTWTRQXMJDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-15-3-2-4-17(11-15)22-26-23(30-27-22)20-10-9-19(29-20)13-31-14-21(28)25-12-16-5-7-18(24)8-6-16/h2-11H,12-14H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 50785945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).