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

C15H21N5O2 — CID 126913470

IUPAC2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(CN2CCN(CCn3ncccc3=O)CC2)no1
InChIInChI=1S/C15H21N5O2/c1-13-11-14(17-22-13)12-19-7-5-18(6-8-19)9-10-20-15(21)3-2-4-16-20/h2-4,11H,5-10,12H2,1H3
InChIKeyCGCGVIZXJLHJQK-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.36
Rot. Bonds5

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

2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913470) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913470
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(CN2CCN(CCn3ncccc3=O)CC2)no1
InChIInChI=1S/C15H21N5O2/c1-13-11-14(17-22-13)12-19-7-5-18(6-8-19)9-10-20-15(21)3-2-4-16-20/h2-4,11H,5-10,12H2,1H3
InChIKeyCGCGVIZXJLHJQK-UHFFFAOYSA-N
XLogP0.36
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913465
2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913451
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913367
2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913460
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913484
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418
4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 133303018
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 112796498
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913470) is 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(CN2CCN(CCn3ncccc3=O)CC2)no1.
What is the InChIKey of 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is CGCGVIZXJLHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-13-11-14(17-22-13)12-19-7-5-18(6-8-19)9-10-20-15(21)3-2-4-16-20/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 303.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).