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

C14H16N6O2 — CID 91959892

IUPAC2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCO2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N6O2/c21-13(11-10-12-20(17-11)8-9-22-12)18-4-6-19(7-5-18)14-15-2-1-3-16-14/h1-3,10H,4-9H2
InChIKeyUFOVTONUICKASV-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.03
Rot. Bonds2

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

2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 91959892) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID91959892
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCO2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N6O2/c21-13(11-10-12-20(17-11)8-9-22-12)18-4-6-19(7-5-18)14-15-2-1-3-16-14/h1-3,10H,4-9H2
InChIKeyUFOVTONUICKASV-UHFFFAOYSA-N
XLogP0.03
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 71789358
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91959859
[4-(3-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 90536757
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893285
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647571

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 91959892) is 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2n(n1)CCO2)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UFOVTONUICKASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c21-13(11-10-12-20(17-11)8-9-22-12)18-4-6-19(7-5-18)14-15-2-1-3-16-14/h1-3,10H,4-9H2.
What are the key properties of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 300.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91959892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).