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

C20H20FN3O3S — CID 4066452

IUPACN-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1
InChIInChI=1S/C20H20FN3O3S/c1-26-15-11-9-14(10-12-15)5-4-8-19-23-24-20(27-19)28-13-18(25)22-17-7-3-2-6-16(17)21/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,25)
InChIKeyPNIFMSZWOMKUIO-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.12
Rot. Bonds9

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

N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4066452) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID4066452
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1
InChIInChI=1S/C20H20FN3O3S/c1-26-15-11-9-14(10-12-15)5-4-8-19-23-24-20(27-19)28-13-18(25)22-17-7-3-2-6-16(17)21/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,25)
InChIKeyPNIFMSZWOMKUIO-UHFFFAOYSA-N
XLogP4.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4066452) is N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PNIFMSZWOMKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-26-15-11-9-14(10-12-15)5-4-8-19-23-24-20(27-19)28-13-18(25)22-17-7-3-2-6-16(17)21/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4066452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).