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

C10H13N3O3 — CID 71789503

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CC(O)C1
InChIInChI=1S/C10H13N3O3/c14-7-5-12(6-7)9(15)8-4-11-13-2-1-3-16-10(8)13/h4,7,14H,1-3,5-6H2
InChIKeyXJVYJMLFCCWPKV-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.52
Rot. Bonds1

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 71789503) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone
PubChem CID71789503
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CC(O)C1
InChIInChI=1S/C10H13N3O3/c14-7-5-12(6-7)9(15)8-4-11-13-2-1-3-16-10(8)13/h4,7,14H,1-3,5-6H2
InChIKeyXJVYJMLFCCWPKV-UHFFFAOYSA-N
XLogP-0.52
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789433
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
5',7'-Dihydrospiro[oxetane-3,6'-pyrazolo[3,2-b][1,3]oxazine]-3'-carboxylic acid
CID 167719402
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
(4-methylpiperazin-1-yl)(3-propoxy-1-propyl-1H-pyrazol-4-yl)methanone
CID 16925488
N-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789496
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)acetate
CID 71789434
azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 126816534
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789455

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone (CID 71789503) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cnn2c1OCCC2)N1CC(O)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is XJVYJMLFCCWPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-5-12(6-7)9(15)8-4-11-13-2-1-3-16-10(8)13/h4,7,14H,1-3,5-6H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 223.23 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 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-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 71789503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).