(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone

C19H18FN5O3 — CID 134588483

IUPAC(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)N3CC(F)C3)nn2)cn1
InChIInChI=1S/C19H18FN5O3/c1-11-3-4-13(7-21-11)18-15(12(2)28-24-18)10-27-17-6-5-16(22-23-17)19(26)25-8-14(20)9-25/h3-7,14H,8-10H2,1-2H3
InChIKeyJFQBVKGJWWZLHU-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.52
Rot. Bonds5

About (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone

(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone (PubChem CID 134588483) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
PubChem CID134588483
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)N3CC(F)C3)nn2)cn1
InChIInChI=1S/C19H18FN5O3/c1-11-3-4-13(7-21-11)18-15(12(2)28-24-18)10-27-17-6-5-16(22-23-17)19(26)25-8-14(20)9-25/h3-7,14H,8-10H2,1-2H3
InChIKeyJFQBVKGJWWZLHU-UHFFFAOYSA-N
XLogP2.52
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone (CID 134588483) is (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N3CC(F)C3)nn2)cn1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
The InChIKey is JFQBVKGJWWZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-11-3-4-13(7-21-11)18-15(12(2)28-24-18)10-27-17-6-5-16(22-23-17)19(26)25-8-14(20)9-25/h3-7,14H,8-10H2,1-2H3.
What are the key properties of (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone has a molecular weight of 383.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone is sourced from PubChem (CID 134588483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).