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

C20H16N4O2 — CID 53162164

IUPACN-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1
InChIInChI=1S/C20H16N4O2/c1-13-4-7-16(8-5-13)22-18(25)12-19-23-24-20(26-19)15-6-9-17-14(11-15)3-2-10-21-17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyDMMUEEVFLVPJGT-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.77
Rot. Bonds4

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

N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162164) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162164
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1
InChIInChI=1S/C20H16N4O2/c1-13-4-7-16(8-5-13)22-18(25)12-19-23-24-20(26-19)15-6-9-17-14(11-15)3-2-10-21-17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyDMMUEEVFLVPJGT-UHFFFAOYSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162164) is N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is DMMUEEVFLVPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-4-7-16(8-5-13)22-18(25)12-19-23-24-20(26-19)15-6-9-17-14(11-15)3-2-10-21-17/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).