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

C13H14FN3O2S — CID 6494326

IUPACN-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C13H14FN3O2S/c1-2-5-12-16-17-13(19-12)20-8-11(18)15-10-7-4-3-6-9(10)14/h3-4,6-7H,2,5,8H2,1H3,(H,15,18)
InChIKeyJCZKVPRUIZWYMR-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 6494326) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID6494326
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C13H14FN3O2S/c1-2-5-12-16-17-13(19-12)20-8-11(18)15-10-7-4-3-6-9(10)14/h3-4,6-7H,2,5,8H2,1H3,(H,15,18)
InChIKeyJCZKVPRUIZWYMR-UHFFFAOYSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 6494326) is N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCCc1nnc(SCC(=O)Nc2ccccc2F)o1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JCZKVPRUIZWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-2-5-12-16-17-13(19-12)20-8-11(18)15-10-7-4-3-6-9(10)14/h3-4,6-7H,2,5,8H2,1H3,(H,15,18).
What are the key properties of N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6494326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).