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

C21H17ClN4O2 — CID 53162193

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O2/c22-17-6-3-14(4-7-17)9-11-24-19(27)13-20-25-26-21(28-20)16-5-8-18-15(12-16)2-1-10-23-18/h1-8,10,12H,9,11,13H2,(H,24,27)
InChIKeyANEWBEQUONTZSR-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.84
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162193) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162193
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O2/c22-17-6-3-14(4-7-17)9-11-24-19(27)13-20-25-26-21(28-20)16-5-8-18-15(12-16)2-1-10-23-18/h1-8,10,12H,9,11,13H2,(H,24,27)
InChIKeyANEWBEQUONTZSR-UHFFFAOYSA-N
XLogP3.84
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71466725
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042916
N-(5-Fluoro-2-methylphenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162160
N-(4-Fluoro-2-methylphenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162177
N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 168866588
N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 168866590
Neuraminidase-IN-17
CID 168866591
N-(4-chlorobenzyl)-2-(5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 49666526
2-({4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}methyl)-3-(4-ethylphenyl)-3H-imidazo[4,5-b]pyridine
CID 49666528
N-(3-Fluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162141
N-(2-Fluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162142
N-(4-Fluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162143

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162193) is N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ANEWBEQUONTZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-17-6-3-14(4-7-17)9-11-24-19(27)13-20-25-26-21(28-20)16-5-8-18-15(12-16)2-1-10-23-18/h1-8,10,12H,9,11,13H2,(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 392.85 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).