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

C15H17N3O4S — CID 3899739

IUPACethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)o2)cc1
InChIInChI=1S/C15H17N3O4S/c1-3-13-17-18-15(22-13)23-9-12(19)16-11-7-5-10(6-8-11)14(20)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyZGHBWQMLYGBBKF-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.54
Rot. Bonds7

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

ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate (PubChem CID 3899739) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
PubChem CID3899739
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Nameethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)o2)cc1
InChIInChI=1S/C15H17N3O4S/c1-3-13-17-18-15(22-13)23-9-12(19)16-11-7-5-10(6-8-11)14(20)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyZGHBWQMLYGBBKF-UHFFFAOYSA-N
XLogP2.54
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
Methyl 3-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
CID 6462123
Ethyl 4-({[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
CID 6494320
methyl 4-[2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)acetamido]benzoate
CID 24892565
butyl 4-[({[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}acetyl)amino]benzoate
CID 135449235
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
Ethyl 4-{[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetyl]amino}benzoate
CID 3735070
[5-(2-Benzoylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 646163
[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid methyl ester
CID 647980
Ethyl 4-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
CID 658159
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
Ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate
CID 3235962

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate (CID 3899739) is ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)o2)cc1.
What is the InChIKey of ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The InChIKey is ZGHBWQMLYGBBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-13-17-18-15(22-13)23-9-12(19)16-11-7-5-10(6-8-11)14(20)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19).
What are the key properties of ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate has a molecular weight of 335.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate is sourced from PubChem (CID 3899739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).