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

C24H20ClN3O5 — CID 45032694

IUPAC2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H20ClN3O5/c1-30-18-12-8-17(9-13-18)26-22(29)14-32-21-5-3-2-4-20(21)24-27-23(33-28-24)15-31-19-10-6-16(25)7-11-19/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyDQLFGRUVBUTFMV-UHFFFAOYSA-N
MW465.89 g/mol
LogP5.00
Rot. Bonds9

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

2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 45032694) has the molecular formula C24H20ClN3O5 and a molecular weight of 465.89 g/mol. Its IUPAC name is 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID45032694
Molecular FormulaC24H20ClN3O5
Molecular Weight465.89 g/mol
Exact Mass465.11
IUPAC Name2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H20ClN3O5/c1-30-18-12-8-17(9-13-18)26-22(29)14-32-21-5-3-2-4-20(21)24-27-23(33-28-24)15-31-19-10-6-16(25)7-11-19/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyDQLFGRUVBUTFMV-UHFFFAOYSA-N
XLogP5.00
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 50753468
2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032593
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
2-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 45032616
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 45032609
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
2-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-nitrophenyl)acetamide
CID 50745972
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide (CID 45032694) is 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DQLFGRUVBUTFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5/c1-30-18-12-8-17(9-13-18)26-22(29)14-32-21-5-3-2-4-20(21)24-27-23(33-28-24)15-31-19-10-6-16(25)7-11-19/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 465.89 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 45032694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).