2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C20H23N5O2 — CID 126929452

IUPAC2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCC(C)c1cnc(CN2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)o1
InChIInChI=1S/C20H23N5O2/c1-14(2)18-9-22-19(27-18)13-24-10-15(11-24)12-25-20(26)6-5-17(23-25)16-4-3-7-21-8-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyWKQBERWWCVNBJZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.55
Rot. Bonds6

About 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126929452) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126929452
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCC(C)c1cnc(CN2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)o1
InChIInChI=1S/C20H23N5O2/c1-14(2)18-9-22-19(27-18)13-24-10-15(11-24)12-25-20(26)6-5-17(23-25)16-4-3-7-21-8-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyWKQBERWWCVNBJZ-UHFFFAOYSA-N
XLogP2.55
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929464
6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929459
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864091
6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929576
2-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929413
2-[[1-[(1-acetylpyrrolidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929481
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
3-methyl-2-[3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126929579
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
2-[[1-(cyclohex-3-ene-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929267
3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944941
2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929788

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126929452) is 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is CC(C)c1cnc(CN2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)o1.
What is the InChIKey of 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is WKQBERWWCVNBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)18-9-22-19(27-18)13-24-10-15(11-24)12-25-20(26)6-5-17(23-25)16-4-3-7-21-8-16/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 365.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126929452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).