ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate

C14H15N3O4 — CID 25284248

IUPACethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1
InChIInChI=1S/C14H15N3O4/c1-3-11-16-17-13(21-11)9-5-7-10(8-6-9)15-12(18)14(19)20-4-2/h5-8H,3-4H2,1-2H3,(H,15,18)
InChIKeyCOSTXKWAKLETAZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate

ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate (PubChem CID 25284248) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
PubChem CID25284248
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1
InChIInChI=1S/C14H15N3O4/c1-3-11-16-17-13(21-11)9-5-7-10(8-6-9)15-12(18)14(19)20-4-2/h5-8H,3-4H2,1-2H3,(H,15,18)
InChIKeyCOSTXKWAKLETAZ-UHFFFAOYSA-N
XLogP1.80
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558
lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate
CID 58862676
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
ethyl 4-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334685
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 20551280
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570
ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
ethyl 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 6494283
ethyl 2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-oxoacetate
CID 110320032
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate (CID 25284248) is ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1.
What is the InChIKey of ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate?
The InChIKey is COSTXKWAKLETAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-11-16-17-13(21-11)9-5-7-10(8-6-9)15-12(18)14(19)20-4-2/h5-8H,3-4H2,1-2H3,(H,15,18).
What are the key properties of ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate?
ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate has a molecular weight of 289.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate is sourced from PubChem (CID 25284248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).