2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

C17H23N5O2 — CID 126913465

IUPAC2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(Cc2noc3c2CCC3)CC1
InChIInChI=1S/C17H23N5O2/c23-17-5-2-6-18-22(17)12-11-20-7-9-21(10-8-20)13-15-14-3-1-4-16(14)24-19-15/h2,5-6H,1,3-4,7-13H2
InChIKeyNRSPHTFMEQIONV-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.54
Rot. Bonds5

About 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913465) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913465
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(Cc2noc3c2CCC3)CC1
InChIInChI=1S/C17H23N5O2/c23-17-5-2-6-18-22(17)12-11-20-7-9-21(10-8-20)13-15-14-3-1-4-16(14)24-19-15/h2,5-6H,1,3-4,7-13H2
InChIKeyNRSPHTFMEQIONV-UHFFFAOYSA-N
XLogP0.54
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-({4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899870
3-{[1-({4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943644
3-{[1-({4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methyl)piperidin-4-yl]methyl}-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944063
5-{4-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 29215038
N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1(6H)-yl)-N-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)acetamide
CID 72870567
3-((1R,5S)-8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole
CID 121183500
3-((4-cyclopropylidenepiperidin-1-yl)methyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole
CID 121184277
6-tert-butyl-2-{[1-({4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862504
6-Tert-butyl-2-({1-[(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126862505
2-{[1-({4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methyl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862972
2-({1-[(4,5,6,7-Tetrahydro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl}methyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862973
6-Methyl-2-{[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126863855

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913465) is 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(Cc2noc3c2CCC3)CC1.
What is the InChIKey of 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is NRSPHTFMEQIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17-5-2-6-18-22(17)12-11-20-7-9-21(10-8-20)13-15-14-3-1-4-16(14)24-19-15/h2,5-6H,1,3-4,7-13H2.
What are the key properties of 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 329.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).