2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C17H20N4O3 — CID 91959859

IUPAC2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCO3)CC1
InChIInChI=1S/C17H20N4O3/c1-23-15-5-3-2-4-14(15)19-6-8-20(9-7-19)17(22)13-12-16-21(18-13)10-11-24-16/h2-5,12H,6-11H2,1H3
InChIKeyDUHKAOWQAAYJHD-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.25
Rot. Bonds3

About 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 91959859) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID91959859
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCO3)CC1
InChIInChI=1S/C17H20N4O3/c1-23-15-5-3-2-4-14(15)19-6-8-20(9-7-19)17(22)13-12-16-21(18-13)10-11-24-16/h2-5,12H,6-11H2,1H3
InChIKeyDUHKAOWQAAYJHD-UHFFFAOYSA-N
XLogP1.25
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 91959494
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46547494
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109339086
(6,8-difluoro-4-methoxyquinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71824746
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 91959859) is 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCO3)CC1.
What is the InChIKey of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is DUHKAOWQAAYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-5-3-2-4-14(15)19-6-8-20(9-7-19)17(22)13-12-16-21(18-13)10-11-24-16/h2-5,12H,6-11H2,1H3.
What are the key properties of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91959859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).