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

C19H18ClN3O2 — CID 52906306

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(-c2nnc(CC(=O)NCCc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-2-6-15(7-3-13)19-23-22-18(25-19)12-17(24)21-11-10-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyUTIUKNPMHJUYRG-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.60
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52906306) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52906306
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(-c2nnc(CC(=O)NCCc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-2-6-15(7-3-13)19-23-22-18(25-19)12-17(24)21-11-10-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyUTIUKNPMHJUYRG-UHFFFAOYSA-N
XLogP3.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162041
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110334614

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 52906306) is N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(-c2nnc(CC(=O)NCCc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is UTIUKNPMHJUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-2-6-15(7-3-13)19-23-22-18(25-19)12-17(24)21-11-10-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52906306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).