N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide

C19H19N3O5 — CID 7711063

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H19N3O5/c1-4-26-14-8-6-5-7-13(14)19(23)20-18-17(21-27-22-18)12-9-10-15(24-2)16(11-12)25-3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyUZIYBPNBGUBLBI-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.40
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide (PubChem CID 7711063) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
PubChem CID7711063
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H19N3O5/c1-4-26-14-8-6-5-7-13(14)19(23)20-18-17(21-27-22-18)12-9-10-15(24-2)16(11-12)25-3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyUZIYBPNBGUBLBI-UHFFFAOYSA-N
XLogP3.40
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7677392
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244658
2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7709712
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 17014055

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide (CID 7711063) is N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide?
The InChIKey is UZIYBPNBGUBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-4-26-14-8-6-5-7-13(14)19(23)20-18-17(21-27-22-18)12-9-10-15(24-2)16(11-12)25-3/h5-11H,4H2,1-3H3,(H,20,22,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide?
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide has a molecular weight of 369.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide is sourced from PubChem (CID 7711063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).