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

C18H16FN3O4S — CID 3149638

IUPACN-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc(OC)c1
InChIInChI=1S/C18H16FN3O4S/c1-24-14-7-13(8-15(9-14)25-2)20-16(23)10-27-18-22-21-17(26-18)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyGSLSZFCRUVWYFQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.62
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3149638) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3149638
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc(OC)c1
InChIInChI=1S/C18H16FN3O4S/c1-24-14-7-13(8-15(9-14)25-2)20-16(23)10-27-18-22-21-17(26-18)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyGSLSZFCRUVWYFQ-UHFFFAOYSA-N
XLogP3.62
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3149638) is N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GSLSZFCRUVWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-24-14-7-13(8-15(9-14)25-2)20-16(23)10-27-18-22-21-17(26-18)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3149638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).