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

C24H21N3O4 — CID 46266949

IUPAC2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1
InChIInChI=1S/C24H21N3O4/c1-3-30-21-10-5-4-9-20(21)23(28)25-18-8-6-7-17(15-18)24-26-22(27-31-24)16-11-13-19(29-2)14-12-16/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyPOJSHEQQYYBLDT-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.06
Rot. Bonds7

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

2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 46266949) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID46266949
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1
InChIInChI=1S/C24H21N3O4/c1-3-30-21-10-5-4-9-20(21)23(28)25-18-8-6-7-17(15-18)24-26-22(27-31-24)16-11-13-19(29-2)14-12-16/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyPOJSHEQQYYBLDT-UHFFFAOYSA-N
XLogP5.06
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide
CID 35521988
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
2-(4-methoxyphenyl)-N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 4912727

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 46266949) is 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1.
What is the InChIKey of 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is POJSHEQQYYBLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-3-30-21-10-5-4-9-20(21)23(28)25-18-8-6-7-17(15-18)24-26-22(27-31-24)16-11-13-19(29-2)14-12-16/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 46266949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).