ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate

C19H19N3O5 — CID 20952719

IUPACethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1
InChIInChI=1S/C19H19N3O5/c1-4-26-18(23)12-5-7-13(8-6-12)20-19-21-17(22-27-19)15-11-14(24-2)9-10-16(15)25-3/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeySLBRJQIXKUYOFO-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.67
Rot. Bonds7

About ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate

ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate (PubChem CID 20952719) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
PubChem CID20952719
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Nameethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1
InChIInChI=1S/C19H19N3O5/c1-4-26-18(23)12-5-7-13(8-6-12)20-19-21-17(22-27-19)15-11-14(24-2)9-10-16(15)25-3/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeySLBRJQIXKUYOFO-UHFFFAOYSA-N
XLogP3.67
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate with MolForge

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Related Compounds

ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
CID 20910060
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20910064
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451
ethyl 3-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381738
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[[5-(2,4-dimethoxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112968026
3-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17376509
ethyl 4-[[6-(2,5-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 23494778
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate (CID 20952719) is ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1.
What is the InChIKey of ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
The InChIKey is SLBRJQIXKUYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-4-26-18(23)12-5-7-13(8-6-12)20-19-21-17(22-27-19)15-11-14(24-2)9-10-16(15)25-3/h5-11H,4H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate has a molecular weight of 369.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate is sourced from PubChem (CID 20952719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).