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

C14H18N4O2 — CID 126923188

IUPAC2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1oncc1CN1CCCC1Cn1ncccc1=O
InChIInChI=1S/C14H18N4O2/c1-11-12(8-16-20-11)9-17-7-3-4-13(17)10-18-14(19)5-2-6-15-18/h2,5-6,8,13H,3-4,7,9-10H2,1H3
InChIKeyUNYYOCFZESMLAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.20
Rot. Bonds4

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

2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923188) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923188
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1oncc1CN1CCCC1Cn1ncccc1=O
InChIInChI=1S/C14H18N4O2/c1-11-12(8-16-20-11)9-17-7-3-4-13(17)10-18-14(19)5-2-6-15-18/h2,5-6,8,13H,3-4,7,9-10H2,1H3
InChIKeyUNYYOCFZESMLAN-UHFFFAOYSA-N
XLogP1.20
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-tert-butyl-2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923955
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923237
2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923300
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924784
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923278
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308
4-[2-[2-[(6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126923305
2-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 121173951
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923188) is 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1oncc1CN1CCCC1Cn1ncccc1=O.
What is the InChIKey of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is UNYYOCFZESMLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-12(8-16-20-11)9-17-7-3-4-13(17)10-18-14(19)5-2-6-15-18/h2,5-6,8,13H,3-4,7,9-10H2,1H3.
What are the key properties of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).