N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

C19H12F2N4O2 — CID 53162169

IUPACN-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H12F2N4O2/c20-14-5-4-13(9-15(14)21)23-17(26)10-18-24-25-19(27-18)12-3-6-16-11(8-12)2-1-7-22-16/h1-9H,10H2,(H,23,26)
InChIKeyVLDJHXKKDRPKJE-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.74
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162169) has the molecular formula C19H12F2N4O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162169
Molecular FormulaC19H12F2N4O2
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC NameN-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H12F2N4O2/c20-14-5-4-13(9-15(14)21)23-17(26)10-18-24-25-19(27-18)12-3-6-16-11(8-12)2-1-7-22-16/h1-9H,10H2,(H,23,26)
InChIKeyVLDJHXKKDRPKJE-UHFFFAOYSA-N
XLogP3.74
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162169) is N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is VLDJHXKKDRPKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2/c20-14-5-4-13(9-15(14)21)23-17(26)10-18-24-25-19(27-18)12-3-6-16-11(8-12)2-1-7-22-16/h1-9H,10H2,(H,23,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 366.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).