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

C13H19N3O2 — CID 90537019

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnn3c2OCCC3)C1
InChIInChI=1S/C13H19N3O2/c1-10-4-2-5-15(9-10)12(17)11-8-14-16-6-3-7-18-13(11)16/h8,10H,2-7,9H2,1H3
InChIKeyUESUWGQMUQCNOU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.54
Rot. Bonds1

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone (PubChem CID 90537019) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone
PubChem CID90537019
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnn3c2OCCC3)C1
InChIInChI=1S/C13H19N3O2/c1-10-4-2-5-15(9-10)12(17)11-8-14-16-6-3-7-18-13(11)16/h8,10H,2-7,9H2,1H3
InChIKeyUESUWGQMUQCNOU-UHFFFAOYSA-N
XLogP1.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone
CID 90537022
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100633287
methyl (2S)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97106812
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100629002
4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256976
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 71789515
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 71789428
[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 121193066
N-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 66942371
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone (CID 90537019) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnn3c2OCCC3)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UESUWGQMUQCNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-2-5-15(9-10)12(17)11-8-14-16-6-3-7-18-13(11)16/h8,10H,2-7,9H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 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-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 90537019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).