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

C20H15FN4O2 — CID 53162154

IUPACN-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1F
InChIInChI=1S/C20H15FN4O2/c1-12-4-6-15(10-16(12)21)23-18(26)11-19-24-25-20(27-19)14-5-7-17-13(9-14)3-2-8-22-17/h2-10H,11H2,1H3,(H,23,26)
InChIKeyQALOLYBTDAWDHO-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.91
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162154) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162154
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1F
InChIInChI=1S/C20H15FN4O2/c1-12-4-6-15(10-16(12)21)23-18(26)11-19-24-25-20(27-19)14-5-7-17-13(9-14)3-2-8-22-17/h2-10H,11H2,1H3,(H,23,26)
InChIKeyQALOLYBTDAWDHO-UHFFFAOYSA-N
XLogP3.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162154) is N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is QALOLYBTDAWDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-12-4-6-15(10-16(12)21)23-18(26)11-19-24-25-20(27-19)14-5-7-17-13(9-14)3-2-8-22-17/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 362.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).