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

C25H22FN3O2S — CID 112786651

IUPACN-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(Cc1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C25H22FN3O2S/c1-17(18-8-4-2-5-9-18)16-22-28-29-25(31-22)32-23(19-10-6-3-7-11-19)24(30)27-21-14-12-20(26)13-15-21/h2-15,17,23H,16H2,1H3,(H,27,30)
InChIKeyAOXVKXZPXVJLGD-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.03
Rot. Bonds8

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

N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 112786651) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID112786651
Molecular FormulaC25H22FN3O2S
Molecular Weight447.54 g/mol
Exact Mass447.14
IUPAC NameN-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(Cc1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C25H22FN3O2S/c1-17(18-8-4-2-5-9-18)16-22-28-29-25(31-22)32-23(19-10-6-3-7-11-19)24(30)27-21-14-12-20(26)13-15-21/h2-15,17,23H,16H2,1H3,(H,27,30)
InChIKeyAOXVKXZPXVJLGD-UHFFFAOYSA-N
XLogP6.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 112786651) is N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(Cc1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AOXVKXZPXVJLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2S/c1-17(18-8-4-2-5-9-18)16-22-28-29-25(31-22)32-23(19-10-6-3-7-11-19)24(30)27-21-14-12-20(26)13-15-21/h2-15,17,23H,16H2,1H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 112786651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).