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

C18H17N3O4 — CID 20881472

IUPACethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2nc(-c3ccc(OC)cc3)no2)c1
InChIInChI=1S/C18H17N3O4/c1-3-24-17(22)13-5-4-6-14(11-13)19-18-20-16(21-25-18)12-7-9-15(23-2)10-8-12/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyLZOYDFBBNPPNPX-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.67
Rot. Bonds6

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

ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate (PubChem CID 20881472) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
PubChem CID20881472
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2nc(-c3ccc(OC)cc3)no2)c1
InChIInChI=1S/C18H17N3O4/c1-3-24-17(22)13-5-4-6-14(11-13)19-18-20-16(21-25-18)12-7-9-15(23-2)10-8-12/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyLZOYDFBBNPPNPX-UHFFFAOYSA-N
XLogP3.67
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451
ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20952719
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
ethyl 3-[[2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53091220
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]benzoate
CID 90353046
ethyl 3-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22533444
3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 20881484
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
The IUPAC name of ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate (CID 20881472) is ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
The canonical SMILES for ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate is CCOC(=O)c1cccc(Nc2nc(-c3ccc(OC)cc3)no2)c1.
What is the InChIKey of ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
The InChIKey is LZOYDFBBNPPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-24-17(22)13-5-4-6-14(11-13)19-18-20-16(21-25-18)12-7-9-15(23-2)10-8-12/h4-11H,3H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate?
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate has a molecular weight of 339.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate is sourced from PubChem (CID 20881472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).