1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate

C17H18N4O4S — CID 55392272

IUPAC1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OC(C)c2nnc(-c3cccs3)o2)ccc1=O
InChIInChI=1S/C17H18N4O4S/c1-3-4-9-21-14(22)8-7-12(20-21)17(23)24-11(2)15-18-19-16(25-15)13-6-5-10-26-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyGUHFTXMIPNBREU-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.07
Rot. Bonds7

About 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 55392272) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID55392272
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OC(C)c2nnc(-c3cccs3)o2)ccc1=O
InChIInChI=1S/C17H18N4O4S/c1-3-4-9-21-14(22)8-7-12(20-21)17(23)24-11(2)15-18-19-16(25-15)13-6-5-10-26-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyGUHFTXMIPNBREU-UHFFFAOYSA-N
XLogP3.07
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

Ethyl 4-(2-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetyl)piperazine-1-carboxylate
CID 2155761
2-Tert-butyl-4-chloro-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one
CID 11257118
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7715987
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7715989
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7716172
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7716173
1-(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 55392015
1-(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 55392548
2-(Methoxymethyl)-5-(thiophen-2-YL)-1,3,4-oxadiazole
CID 53017470
1-(t-Butoxycarbonyl)-4-{[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]-methylene}-piperidine
CID 66709126
Methyl 5-(thiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 89627091
Tert-butyl 4-[hydroxy-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-1-carboxylate
CID 168152011

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate (CID 55392272) is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OC(C)c2nnc(-c3cccs3)o2)ccc1=O.
What is the InChIKey of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is GUHFTXMIPNBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-3-4-9-21-14(22)8-7-12(20-21)17(23)24-11(2)15-18-19-16(25-15)13-6-5-10-26-13/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 55392272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).