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

C17H22N4O3 — CID 94002531

IUPAC2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC[C@@H]2c2cc(C)on2)ccc1=O
InChIInChI=1S/C17H22N4O3/c1-3-4-10-21-16(22)8-7-13(18-21)17(23)20-9-5-6-15(20)14-11-12(2)24-19-14/h7-8,11,15H,3-6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyKEITWCCXPVIRMA-OAHLLOKOSA-N
MW330.39 g/mol
LogP2.32
Rot. Bonds5

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

2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 94002531) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID94002531
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC[C@@H]2c2cc(C)on2)ccc1=O
InChIInChI=1S/C17H22N4O3/c1-3-4-10-21-16(22)8-7-13(18-21)17(23)20-9-5-6-15(20)14-11-12(2)24-19-14/h7-8,11,15H,3-6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyKEITWCCXPVIRMA-OAHLLOKOSA-N
XLogP2.32
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56807823
2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56816863
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 22586646
6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 95739273
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586624
1,3-dimethyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97281647
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95579844

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one (CID 94002531) is 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCC[C@@H]2c2cc(C)on2)ccc1=O.
What is the InChIKey of 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is KEITWCCXPVIRMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-4-10-21-16(22)8-7-13(18-21)17(23)20-9-5-6-15(20)14-11-12(2)24-19-14/h7-8,11,15H,3-6,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 94002531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).