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

C16H11F3N4O2S — CID 5300682

IUPAC2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)21-13(24)9-26-15-23-22-14(25-15)10-5-7-20-8-6-10/h1-8H,9H2,(H,21,24)
InChIKeyMGDMEJUHRSHJFU-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.88
Rot. Bonds5

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

2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 5300682) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID5300682
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)21-13(24)9-26-15-23-22-14(25-15)10-5-7-20-8-6-10/h1-8H,9H2,(H,21,24)
InChIKeyMGDMEJUHRSHJFU-UHFFFAOYSA-N
XLogP3.88
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 5300682) is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MGDMEJUHRSHJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)21-13(24)9-26-15-23-22-14(25-15)10-5-7-20-8-6-10/h1-8H,9H2,(H,21,24).
What are the key properties of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 5300682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).