6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C13H17N3O3 — CID 90537292

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CC2CCC(C1)O2
InChIInChI=1S/C13H17N3O3/c17-12(15-7-9-2-3-10(8-15)19-9)11-6-14-16-4-1-5-18-13(11)16/h6,9-10H,1-5,7-8H2
InChIKeyAZJXONPOTVPJTC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.67
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 90537292) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID90537292
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CC2CCC(C1)O2
InChIInChI=1S/C13H17N3O3/c17-12(15-7-9-2-3-10(8-15)19-9)11-6-14-16-4-1-5-18-13(11)16/h6,9-10H,1-5,7-8H2
InChIKeyAZJXONPOTVPJTC-UHFFFAOYSA-N
XLogP0.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789426
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl)methanone
CID 71789468
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(4-oxa-1,7a-diaza-6,7-dihydro-5H-inden-3-yl){4-[(S)-perhydro-2-furoyl]-1-piperazinyl}methanone
CID 97104402
azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 126816534
(2,6-dimethylmorpholino)(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)methanone
CID 16925365
3-ethoxy-1-ethyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-4-carboxamide
CID 16925384
N-cyclohexyl-N-(2-hydroxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789430
N-(3-morpholinopropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789435
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 71789513
7-Oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide
CID 167529021
3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 40925191

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 90537292) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnn2c1OCCC2)N1CC2CCC(C1)O2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is AZJXONPOTVPJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(15-7-9-2-3-10(8-15)19-9)11-6-14-16-4-1-5-18-13(11)16/h6,9-10H,1-5,7-8H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 90537292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).