[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C14H16N4O4 — CID 100632774

IUPAC[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(O[C@H]2CCN(C(=O)c3cnoc3C)C2)nn1
InChIInChI=1S/C14H16N4O4/c1-9-11(7-15-22-9)14(19)18-6-5-10(8-18)21-13-4-3-12(20-2)16-17-13/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyRIJQKXVWFRWQKD-JTQLQIEISA-N
MW304.31 g/mol
LogP1.08
Rot. Bonds4

About [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 100632774) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID100632774
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(O[C@H]2CCN(C(=O)c3cnoc3C)C2)nn1
InChIInChI=1S/C14H16N4O4/c1-9-11(7-15-22-9)14(19)18-6-5-10(8-18)21-13-4-3-12(20-2)16-17-13/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyRIJQKXVWFRWQKD-JTQLQIEISA-N
XLogP1.08
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627450
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(2-iodophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639097
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90639283
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100633287
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 91627534
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 100632774) is [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is COc1ccc(O[C@H]2CCN(C(=O)c3cnoc3C)C2)nn1.
What is the InChIKey of [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RIJQKXVWFRWQKD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9-11(7-15-22-9)14(19)18-6-5-10(8-18)21-13-4-3-12(20-2)16-17-13/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 304.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 100632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).