6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone

C15H16FN5O3 — CID 121017651

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H16FN5O3/c16-10-7-17-15(18-8-10)24-11-2-4-20(9-11)14(22)12-6-13-21(19-12)3-1-5-23-13/h6-8,11H,1-5,9H2
InChIKeyVJHBUFSSWNPBKL-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.89
Rot. Bonds3

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 121017651) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID121017651
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H16FN5O3/c16-10-7-17-15(18-8-10)24-11-2-4-20(9-11)14(22)12-6-13-21(19-12)3-1-5-23-13/h6-8,11H,1-5,9H2
InChIKeyVJHBUFSSWNPBKL-UHFFFAOYSA-N
XLogP0.89
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(1-Methyl-1H-pyrazol-5-YL)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185862
4-{[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}-6-(pyrrolidin-1-YL)pyrimidine
CID 53185863
(1-ethyl-1H-pyrazol-3-yl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185864
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71789358
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91817847
[(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)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162698
N-(3-(1H-imidazol-1-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789303
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90634417

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (CID 121017651) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is VJHBUFSSWNPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c16-10-7-17-15(18-8-10)24-11-2-4-20(9-11)14(22)12-6-13-21(19-12)3-1-5-23-13/h6-8,11H,1-5,9H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 333.32 g/mol, XLogP of 0.89, 3 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-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 121017651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).