(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C14H12N4O4 — CID 7194951

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OCc2nnc(-c3ccccc3)o2)=NN1
InChIInChI=1S/C14H12N4O4/c19-11-7-6-10(15-16-11)14(20)21-8-12-17-18-13(22-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,19)
InChIKeyABUCGQARJIQBJA-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.05
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7194951) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7194951
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OCc2nnc(-c3ccccc3)o2)=NN1
InChIInChI=1S/C14H12N4O4/c19-11-7-6-10(15-16-11)14(20)21-8-12-17-18-13(22-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,19)
InChIKeyABUCGQARJIQBJA-UHFFFAOYSA-N
XLogP1.05
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7194951) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is O=C1CCC(C(=O)OCc2nnc(-c3ccccc3)o2)=NN1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is ABUCGQARJIQBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-11-7-6-10(15-16-11)14(20)21-8-12-17-18-13(22-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,19).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 300.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7194951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).