N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide

C21H22ClN3O4 — CID 3159108

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C
InChIInChI=1S/C21H22ClN3O4/c1-14(2)25(20(26)13-28-18-7-5-4-6-17(18)27-3)12-19-23-21(24-29-19)15-8-10-16(22)11-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyVKLGHQJGSGNWRU-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.21
Rot. Bonds8

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide (PubChem CID 3159108) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide
PubChem CID3159108
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C
InChIInChI=1S/C21H22ClN3O4/c1-14(2)25(20(26)13-28-18-7-5-4-6-17(18)27-3)12-19-23-21(24-29-19)15-8-10-16(22)11-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyVKLGHQJGSGNWRU-UHFFFAOYSA-N
XLogP4.21
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide (CID 3159108) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide is COc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide?
The InChIKey is VKLGHQJGSGNWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-14(2)25(20(26)13-28-18-7-5-4-6-17(18)27-3)12-19-23-21(24-29-19)15-8-10-16(22)11-9-15/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-(2-methoxyphenoxy)-N-propan-2-ylacetamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide has a molecular weight of 415.88 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 3159108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).