(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate

C15H14N4O4S — CID 39939527

IUPAC(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCc2nnc(-c3cccs3)o2)ccc1=O
InChIInChI=1S/C15H14N4O4S/c1-2-7-19-13(20)6-5-10(18-19)15(21)22-9-12-16-17-14(23-12)11-4-3-8-24-11/h3-6,8H,2,7,9H2,1H3
InChIKeyOVFJBBWCBPLISA-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.12
Rot. Bonds6

About (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 39939527) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID39939527
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCc2nnc(-c3cccs3)o2)ccc1=O
InChIInChI=1S/C15H14N4O4S/c1-2-7-19-13(20)6-5-10(18-19)15(21)22-9-12-16-17-14(23-12)11-4-3-8-24-11/h3-6,8H,2,7,9H2,1H3
InChIKeyOVFJBBWCBPLISA-UHFFFAOYSA-N
XLogP2.12
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate (CID 39939527) is (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCc2nnc(-c3cccs3)o2)ccc1=O.
What is the InChIKey of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is OVFJBBWCBPLISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-2-7-19-13(20)6-5-10(18-19)15(21)22-9-12-16-17-14(23-12)11-4-3-8-24-11/h3-6,8H,2,7,9H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate?
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 346.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 39939527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).