[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

C13H14N4O4 — CID 91627450

IUPAC[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccno3)C2)nn1
InChIInChI=1S/C13H14N4O4/c1-19-11-2-3-12(16-15-11)20-9-5-7-17(8-9)13(18)10-4-6-14-21-10/h2-4,6,9H,5,7-8H2,1H3
InChIKeyJZHOZHUQEZAQQV-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.77
Rot. Bonds4

About [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 91627450) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID91627450
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccno3)C2)nn1
InChIInChI=1S/C13H14N4O4/c1-19-11-2-3-12(16-15-11)20-9-5-7-17(8-9)13(18)10-4-6-14-21-10/h2-4,6,9H,5,7-8H2,1H3
InChIKeyJZHOZHUQEZAQQV-UHFFFAOYSA-N
XLogP0.77
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 121017545
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774
[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91628111
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 91627534
(2-iodophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639097
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
CID 115825393
4-[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100631894
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90639283

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 91627450) is [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is COc1ccc(OC2CCN(C(=O)c3ccno3)C2)nn1.
What is the InChIKey of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is JZHOZHUQEZAQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-19-11-2-3-12(16-15-11)20-9-5-7-17(8-9)13(18)10-4-6-14-21-10/h2-4,6,9H,5,7-8H2,1H3.
What are the key properties of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 290.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 91627450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).