2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one

C15H16N4O3S — CID 119043588

IUPAC2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
SMILESCOCCn1nc(-c2nc(C(C)c3cccs3)no2)ccc1=O
InChIInChI=1S/C15H16N4O3S/c1-10(12-4-3-9-23-12)14-16-15(22-18-14)11-5-6-13(20)19(17-11)7-8-21-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLMQFULMSPMYGHN-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one

2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one (PubChem CID 119043588) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
PubChem CID119043588
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
SMILESCOCCn1nc(-c2nc(C(C)c3cccs3)no2)ccc1=O
InChIInChI=1S/C15H16N4O3S/c1-10(12-4-3-9-23-12)14-16-15(22-18-14)11-5-6-13(20)19(17-11)7-8-21-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLMQFULMSPMYGHN-UHFFFAOYSA-N
XLogP2.15
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one with MolForge

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Related Compounds

6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 82442523
3-(1-thiophen-2-ylethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 167855197
2-(2-methoxyethyl)-6-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442504
6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442484
6-(4-propan-2-ylphenyl)-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one
CID 53142099
6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442478
6-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442503
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 120957494
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one (CID 119043588) is 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one is COCCn1nc(-c2nc(C(C)c3cccs3)no2)ccc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The InChIKey is LMQFULMSPMYGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-10(12-4-3-9-23-12)14-16-15(22-18-14)11-5-6-13(20)19(17-11)7-8-21-2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one has a molecular weight of 332.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one is sourced from PubChem (CID 119043588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).