2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

C21H21N3O4 — CID 3822272

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-26-15-10-8-14(9-11-15)19-23-21(28-24-19)18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,25)
InChIKeyIDVNOYKMTJFGDT-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.32
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3822272) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3822272
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-26-15-10-8-14(9-11-15)19-23-21(28-24-19)18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,25)
InChIKeyIDVNOYKMTJFGDT-UHFFFAOYSA-N
XLogP3.32
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-[2-ethyl-4-[5-[3-ethyl-4-[[ethyl(methyl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218450
N-[(2S)-3-[4-[5-[4-(diethylaminomethyl)-3-ethylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 127046325
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 3159490
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3710985
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
N-[(2S)-3-[2-ethyl-4-[5-[4-[[ethyl(methyl)amino]methyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44217168
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[3-methyl-4-[[methyl(2-methylpropyl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44217169
N-[(2S)-3-[4-[5-[4-[(dimethylamino)methyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44217170
N-[(2S)-3-[4-[5-[4-[(dimethylamino)methyl]-3-ethylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218131
N-[(2S)-3-[2-ethyl-4-[5-[3-ethyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218451

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 3822272) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IDVNOYKMTJFGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-15-10-8-14(9-11-15)19-23-21(28-24-19)18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3822272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).