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

C14H15FN6O2 — CID 91960124

IUPAC(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nn2c(c1F)OCC2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15FN6O2/c15-10-11(18-21-8-9-23-13(10)21)12(22)19-4-6-20(7-5-19)14-16-2-1-3-17-14/h1-3H,4-9H2
InChIKeyVLATUXGKRBANAK-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.17
Rot. Bonds2

About (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 91960124) has the molecular formula C14H15FN6O2 and a molecular weight of 318.31 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID91960124
Molecular FormulaC14H15FN6O2
Molecular Weight318.31 g/mol
Exact Mass318.12
IUPAC Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nn2c(c1F)OCC2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15FN6O2/c15-10-11(18-21-8-9-23-13(10)21)12(22)19-4-6-20(7-5-19)14-16-2-1-3-17-14/h1-3H,4-9H2
InChIKeyVLATUXGKRBANAK-UHFFFAOYSA-N
XLogP0.17
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53611965
(3-{[6-(Dimethylamino)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53185838
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71789358
[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95108018
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017651
7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960063
N-[3-(2-ethylimidazol-1-yl)propyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960064
7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960103
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 119100488
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122258548
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267772

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 91960124) is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1nn2c(c1F)OCC2)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VLATUXGKRBANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O2/c15-10-11(18-21-8-9-23-13(10)21)12(22)19-4-6-20(7-5-19)14-16-2-1-3-17-14/h1-3H,4-9H2.
What are the key properties of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 318.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91960124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).