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

C22H20N4O3 — CID 53162200

IUPACN-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCOc1ccccc1CNC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C22H20N4O3/c1-2-28-19-8-4-3-6-17(19)14-24-20(27)13-21-25-26-22(29-21)16-9-10-18-15(12-16)7-5-11-23-18/h3-12H,2,13-14H2,1H3,(H,24,27)
InChIKeyZGPTXQFYGIOUBZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.54
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162200) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162200
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCOc1ccccc1CNC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C22H20N4O3/c1-2-28-19-8-4-3-6-17(19)14-24-20(27)13-21-25-26-22(29-21)16-9-10-18-15(12-16)7-5-11-23-18/h3-12H,2,13-14H2,1H3,(H,24,27)
InChIKeyZGPTXQFYGIOUBZ-UHFFFAOYSA-N
XLogP3.54
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162164
N-[(2-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162121
N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162148
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162176
N-[(2-ethoxyphenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943792
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-[(2-chlorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978604
N-[(2-fluorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978602

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162200) is N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is CCOc1ccccc1CNC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ZGPTXQFYGIOUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-28-19-8-4-3-6-17(19)14-24-20(27)13-21-25-26-22(29-21)16-9-10-18-15(12-16)7-5-11-23-18/h3-12H,2,13-14H2,1H3,(H,24,27).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).