2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C18H19N5O2 — CID 126929789

IUPAC2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)co1
InChIInChI=1S/C18H19N5O2/c1-13-20-16(12-25-13)11-22-8-14(9-22)10-23-18(24)3-2-17(21-23)15-4-6-19-7-5-15/h2-7,12,14H,8-11H2,1H3
InChIKeyNKFYXTSMZQNOCF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.73
Rot. Bonds5

About 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929789) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929789
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)co1
InChIInChI=1S/C18H19N5O2/c1-13-20-16(12-25-13)11-22-8-14(9-22)10-23-18(24)3-2-17(21-23)15-4-6-19-7-5-15/h2-7,12,14H,8-11H2,1H3
InChIKeyNKFYXTSMZQNOCF-UHFFFAOYSA-N
XLogP1.73
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929788
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929839
2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863518
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929915
2-[[1-[2-(1-methylimidazol-2-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929797
6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929813
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 171993219
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929655
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929789) is 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cc1nc(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)co1.
What is the InChIKey of 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is NKFYXTSMZQNOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-20-16(12-25-13)11-22-8-14(9-22)10-23-18(24)3-2-17(21-23)15-4-6-19-7-5-15/h2-7,12,14H,8-11H2,1H3.
What are the key properties of 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).