N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide

C21H22ClN3O3 — CID 16483731

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenoxy)-N-propan-2-ylacetamide
SMILESCC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C(C)C
InChIInChI=1S/C21H22ClN3O3/c1-14(2)25(20(26)13-27-18-10-4-15(3)5-11-18)12-19-23-21(24-28-19)16-6-8-17(22)9-7-16/h4-11,14H,12-13H2,1-3H3
InChIKeyRADWZGJXQNVBNT-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.60
Rot. Bonds7

About N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide (PubChem CID 16483731) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide
PubChem CID16483731
Molecular FormulaC21H22ClN3O3
Molecular Weight399.90 g/mol
Exact Mass399.13
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenoxy)-N-propan-2-ylacetamide
SMILESCC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C(C)C
InChIInChI=1S/C21H22ClN3O3/c1-14(2)25(20(26)13-27-18-10-4-15(3)5-11-18)12-19-23-21(24-28-19)16-6-8-17(22)9-7-16/h4-11,14H,12-13H2,1-3H3
InChIKeyRADWZGJXQNVBNT-UHFFFAOYSA-N
XLogP4.60
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity491

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide with MolForge

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Related Compounds

2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6473367
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
2-(4-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 2991054
2-(4-ethylphenoxy)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2992442
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
N-Isopropyl-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 71663305
N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-N-isopropyl-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 71663307
N-Isopropyl-2-(p-tolyloxy)-N-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 71663503
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
CID 71664038
5-[(4-Chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 699769

Frequently Asked Questions

What is the IUPAC name of N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide?
The IUPAC name of N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide (CID 16483731) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide?
The canonical SMILES for N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide is CC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C(C)C.
What is the InChIKey of N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide?
The InChIKey is RADWZGJXQNVBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14(2)25(20(26)13-27-18-10-4-15(3)5-11-18)12-19-23-21(24-28-19)16-6-8-17(22)9-7-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide?
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide has a molecular weight of 399.90 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide is sourced from PubChem (CID 16483731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).