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

C16H15N3O4S — CID 110456603

IUPACethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2nnc(-c3sccc3OC)o2)c1
InChIInChI=1S/C16H15N3O4S/c1-3-22-15(20)10-5-4-6-11(9-10)17-16-19-18-14(23-16)13-12(21-2)7-8-24-13/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyZQQQYFBFNJJJPJ-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.73
Rot. Bonds6

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

ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate (PubChem CID 110456603) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate
PubChem CID110456603
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Nameethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2nnc(-c3sccc3OC)o2)c1
InChIInChI=1S/C16H15N3O4S/c1-3-22-15(20)10-5-4-6-11(9-10)17-16-19-18-14(23-16)13-12(21-2)7-8-24-13/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyZQQQYFBFNJJJPJ-UHFFFAOYSA-N
XLogP3.73
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619254
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 3-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 2287929
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(cyanoamino)benzoate
CID 130015353
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232
ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
CID 45017389
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[(2-hydroxy-3-methoxyphenyl)methylamino]benzoate
CID 51047333

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate?
The IUPAC name of ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate (CID 110456603) is ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate?
The canonical SMILES for ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate is CCOC(=O)c1cccc(Nc2nnc(-c3sccc3OC)o2)c1.
What is the InChIKey of ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate?
The InChIKey is ZQQQYFBFNJJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-3-22-15(20)10-5-4-6-11(9-10)17-16-19-18-14(23-16)13-12(21-2)7-8-24-13/h4-9H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate?
ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate has a molecular weight of 345.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]amino]benzoate is sourced from PubChem (CID 110456603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).