2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C20H13F3N4O2 — CID 53162144

IUPAC2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-6-15(7-5-14)25-17(28)11-18-26-27-19(29-18)13-3-8-16-12(10-13)2-1-9-24-16/h1-10H,11H2,(H,25,28)
InChIKeyPZJPXABSDHCUOC-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.48
Rot. Bonds4

About 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 53162144) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID53162144
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-6-15(7-5-14)25-17(28)11-18-26-27-19(29-18)13-3-8-16-12(10-13)2-1-9-24-16/h1-10H,11H2,(H,25,28)
InChIKeyPZJPXABSDHCUOC-UHFFFAOYSA-N
XLogP4.48
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 53162144) is 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PZJPXABSDHCUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-6-15(7-5-14)25-17(28)11-18-26-27-19(29-18)13-3-8-16-12(10-13)2-1-9-24-16/h1-10H,11H2,(H,25,28).
What are the key properties of 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53162144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).