ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate

C19H17N3O4 — CID 110393338

IUPACethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-19(24)14-8-10-15(11-9-14)20-17(23)18-22-21-16(26-18)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyKPHUYAGITKXRKT-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.09
Rot. Bonds6

About ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate

ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate (PubChem CID 110393338) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
PubChem CID110393338
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-19(24)14-8-10-15(11-9-14)20-17(23)18-22-21-16(26-18)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyKPHUYAGITKXRKT-UHFFFAOYSA-N
XLogP3.09
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 1114546
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate (CID 110393338) is ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate?
The InChIKey is KPHUYAGITKXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-25-19(24)14-8-10-15(11-9-14)20-17(23)18-22-21-16(26-18)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate?
ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110393338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).