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

C18H16FN3O2S — CID 52906330

IUPAC2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-25-15-7-5-12(6-8-15)11-20-16(23)10-17-21-22-18(24-17)13-3-2-4-14(19)9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyMXEWKVQWBXFSKB-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.46
Rot. Bonds6

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

2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 52906330) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID52906330
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-25-15-7-5-12(6-8-15)11-20-16(23)10-17-21-22-18(24-17)13-3-2-4-14(19)9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyMXEWKVQWBXFSKB-UHFFFAOYSA-N
XLogP3.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 52906330) is 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CNC(=O)Cc2nnc(-c3cccc(F)c3)o2)cc1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is MXEWKVQWBXFSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-25-15-7-5-12(6-8-15)11-20-16(23)10-17-21-22-18(24-17)13-3-2-4-14(19)9-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 52906330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).