N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide

C20H21N3O4 — CID 17014055

IUPACN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1C
InChIInChI=1S/C20H21N3O4/c1-4-25-17-10-9-15(11-14(17)3)19-20(23-27-22-19)21-18(24)12-26-16-8-6-5-7-13(16)2/h5-11H,4,12H2,1-3H3,(H,21,23,24)
InChIKeyZJQRSHOWFMIGBB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.77
Rot. Bonds7

About N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide

N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 17014055) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID17014055
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1C
InChIInChI=1S/C20H21N3O4/c1-4-25-17-10-9-15(11-14(17)3)19-20(23-27-22-19)21-18(24)12-26-16-8-6-5-7-13(16)2/h5-11H,4,12H2,1-3H3,(H,21,23,24)
InChIKeyZJQRSHOWFMIGBB-UHFFFAOYSA-N
XLogP3.77
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
CID 17014595
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 17013562
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17014045
2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43842833
2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 17013565
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
CID 17014592
2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 1015487
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide (CID 17014055) is N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide is CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1C.
What is the InChIKey of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is ZJQRSHOWFMIGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-25-17-10-9-15(11-14(17)3)19-20(23-27-22-19)21-18(24)12-26-16-8-6-5-7-13(16)2/h5-11H,4,12H2,1-3H3,(H,21,23,24).
What are the key properties of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide?
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 17014055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).