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

C14H14F3N3O2S — CID 6462806

IUPAC2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H14F3N3O2S/c1-2-4-12-19-20-13(22-12)23-8-11(21)18-10-6-3-5-9(7-10)14(15,16)17/h3,5-7H,2,4,8H2,1H3,(H,18,21)
InChIKeyAPMUZZATLDWWHM-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.77
Rot. Bonds6

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

2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 6462806) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID6462806
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H14F3N3O2S/c1-2-4-12-19-20-13(22-12)23-8-11(21)18-10-6-3-5-9(7-10)14(15,16)17/h3,5-7H,2,4,8H2,1H3,(H,18,21)
InChIKeyAPMUZZATLDWWHM-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 6462806) is 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is CCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is APMUZZATLDWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-2-4-12-19-20-13(22-12)23-8-11(21)18-10-6-3-5-9(7-10)14(15,16)17/h3,5-7H,2,4,8H2,1H3,(H,18,21).
What are the key properties of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 6462806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).