N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C23H18ClN3O3 — CID 20939886

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3/c24-19-12-6-4-10-17(19)14-25-21(28)15-29-20-13-7-5-11-18(20)23-27-26-22(30-23)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28)
InChIKeyBSUHYYBDFMVMPU-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.75
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 20939886) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID20939886
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3/c24-19-12-6-4-10-17(19)14-25-21(28)15-29-20-13-7-5-11-18(20)23-27-26-22(30-23)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28)
InChIKeyBSUHYYBDFMVMPU-UHFFFAOYSA-N
XLogP4.75
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943791
N-[(2-ethoxyphenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943792
N-benzyl-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20939884
N-[(2-chlorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906292
N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943758
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide
CID 50791788
N-[(2-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 51303445
2-(2,4-dichlorophenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318447
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 20939886) is N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide is O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is BSUHYYBDFMVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-19-12-6-4-10-17(19)14-25-21(28)15-29-20-13-7-5-11-18(20)23-27-26-22(30-23)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 419.87 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 20939886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).