2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one

C16H20N4O4 — CID 56807823

IUPAC2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCC2c2cc(C)on2)ccc1=O
InChIInChI=1S/C16H20N4O4/c1-11-10-13(18-24-11)14-4-3-7-19(14)16(22)12-5-6-15(21)20(17-12)8-9-23-2/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyWSVXFMWODVPAHL-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.16
Rot. Bonds5

About 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one

2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 56807823) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID56807823
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCC2c2cc(C)on2)ccc1=O
InChIInChI=1S/C16H20N4O4/c1-11-10-13(18-24-11)14-4-3-7-19(14)16(22)12-5-6-15(21)20(17-12)8-9-23-2/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyWSVXFMWODVPAHL-UHFFFAOYSA-N
XLogP1.16
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 94002531
2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95579844
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 30035791
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 22586646
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951110
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586624

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one (CID 56807823) is 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one is COCCn1nc(C(=O)N2CCCC2c2cc(C)on2)ccc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is WSVXFMWODVPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-11-10-13(18-24-11)14-4-3-7-19(14)16(22)12-5-6-15(21)20(17-12)8-9-23-2/h5-6,10,14H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 332.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 56807823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).