2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C15H20N4O2 — CID 126926812

IUPAC2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CC(Cn2ncccc2=O)C1
InChIInChI=1S/C15H20N4O2/c1-11(2)15-13(16-10-21-15)9-18-6-12(7-18)8-19-14(20)4-3-5-17-19/h3-5,10-12H,6-9H2,1-2H3
InChIKeyKXPOOBGWOFONNE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds5

About 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126926812) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126926812
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CC(Cn2ncccc2=O)C1
InChIInChI=1S/C15H20N4O2/c1-11(2)15-13(16-10-21-15)9-18-6-12(7-18)8-19-14(20)4-3-5-17-19/h3-5,10-12H,6-9H2,1-2H3
InChIKeyKXPOOBGWOFONNE-UHFFFAOYSA-N
XLogP1.49
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

CID 171994193
CID 171994193
CID 172881310
CID 172881310
CID 131176372
CID 131176372
CID 126862480
CID 126862480
CID 126862481
CID 126862481
CID 126862948
CID 126862948
CID 126864084
CID 126864084
CID 126864085
CID 126864085
CID 126864944
CID 126864944
CID 126865403
CID 126865403
CID 126865404
CID 126865404
CID 126913451
CID 126913451

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126926812) is 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is CC(C)c1ocnc1CN1CC(Cn2ncccc2=O)C1.
What is the InChIKey of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is KXPOOBGWOFONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)15-13(16-10-21-15)9-18-6-12(7-18)8-19-14(20)4-3-5-17-19/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).