2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide

C21H20ClN3O4 — CID 56510085

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
SMILESCCc1noc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C21H20ClN3O4/c1-3-18-23-19(29-24-18)12-25(2)20(26)13-28-17-10-6-15(7-11-17)21(27)14-4-8-16(22)9-5-14/h4-11H,3,12-13H2,1-2H3
InChIKeyAIROFURPMOLSTF-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.55
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide (PubChem CID 56510085) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
PubChem CID56510085
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
SMILESCCc1noc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C21H20ClN3O4/c1-3-18-23-19(29-24-18)12-25(2)20(26)13-28-17-10-6-15(7-11-17)21(27)14-4-8-16(22)9-5-14/h4-11H,3,12-13H2,1-2H3
InChIKeyAIROFURPMOLSTF-UHFFFAOYSA-N
XLogP3.55
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide with MolForge

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide
CID 50746918
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 8875008
3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679477
2-[(4-chlorophenoxy)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 56509311
2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 87002083
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860
2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19454239
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 50874765

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide (CID 56510085) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide is CCc1noc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is AIROFURPMOLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-3-18-23-19(29-24-18)12-25(2)20(26)13-28-17-10-6-15(7-11-17)21(27)14-4-8-16(22)9-5-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 413.86 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 56510085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).