6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H18N6O2 — CID 71789358

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18N6O2/c22-14(12-11-13-21(18-12)5-2-10-23-13)19-6-8-20(9-7-19)15-16-3-1-4-17-15/h1,3-4,11H,2,5-10H2
InChIKeyOBKLYHUOBSRBJD-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.42
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 71789358) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID71789358
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18N6O2/c22-14(12-11-13-21(18-12)5-2-10-23-13)19-6-8-20(9-7-19)15-16-3-1-4-17-15/h1,3-4,11H,2,5-10H2
InChIKeyOBKLYHUOBSRBJD-UHFFFAOYSA-N
XLogP0.42
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91959892
[4-(3-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 90536757
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
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789289
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-hydroxyazetidin-1-yl)methanone
CID 71789397
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647571
3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 86771334
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
CID 90536745
[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
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91959859

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 71789358) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2n(n1)CCCO2)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OBKLYHUOBSRBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14(12-11-13-21(18-12)5-2-10-23-13)19-6-8-20(9-7-19)15-16-3-1-4-17-15/h1,3-4,11H,2,5-10H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 314.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71789358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).