2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide

C18H16FN3O3S — CID 4238527

IUPAC2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)c(C)c1
InChIInChI=1S/C18H16FN3O3S/c1-11-8-14(24-2)6-7-15(11)20-16(23)10-26-18-22-21-17(25-18)12-4-3-5-13(19)9-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyAYTZZUVOGMQBME-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.92
Rot. Bonds6

About 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 4238527) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID4238527
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)c(C)c1
InChIInChI=1S/C18H16FN3O3S/c1-11-8-14(24-2)6-7-15(11)20-16(23)10-26-18-22-21-17(25-18)12-4-3-5-13(19)9-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyAYTZZUVOGMQBME-UHFFFAOYSA-N
XLogP3.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3633665
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 3301651
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9458811
N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936
N-(2,5-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5109261
N-(2,6-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3904929
N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4035892
N-(2,4-dimethoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2707033
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 9067438

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide (CID 4238527) is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)c(C)c1.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is AYTZZUVOGMQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-8-14(24-2)6-7-15(11)20-16(23)10-26-18-22-21-17(25-18)12-4-3-5-13(19)9-12/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 4238527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).