6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone

C15H21N3O3 — CID 138996255

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCOCC12CCCC2
InChIInChI=1S/C15H21N3O3/c19-13(12-10-16-18-6-3-8-21-14(12)18)17-7-9-20-11-15(17)4-1-2-5-15/h10H,1-9,11H2
InChIKeySVOYSLCVCCNDET-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone (PubChem CID 138996255) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
PubChem CID138996255
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCOCC12CCCC2
InChIInChI=1S/C15H21N3O3/c19-13(12-10-16-18-6-3-8-21-14(12)18)17-7-9-20-11-15(17)4-1-2-5-15/h10H,1-9,11H2
InChIKeySVOYSLCVCCNDET-UHFFFAOYSA-N
XLogP1.45
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone (CID 138996255) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCOCC12CCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The InChIKey is SVOYSLCVCCNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-13(12-10-16-18-6-3-8-21-14(12)18)17-7-9-20-11-15(17)4-1-2-5-15/h10H,1-9,11H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.45, 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(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone is sourced from PubChem (CID 138996255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).