6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one

C8H14N2O3 — CID 167119887

IUPAC6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one
SMILESNOC1CCN2C(=O)OCCC2C1
InChIInChI=1S/C8H14N2O3/c9-13-7-1-3-10-6(5-7)2-4-12-8(10)11/h6-7H,1-5,9H2
InChIKeyUPGICJVMAYDQHS-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.25
Rot. Bonds1

About 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one

6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one (PubChem CID 167119887) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one.

Molecular Properties

Compound Name6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one
PubChem CID167119887
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one
SMILESNOC1CCN2C(=O)OCCC2C1
InChIInChI=1S/C8H14N2O3/c9-13-7-1-3-10-6(5-7)2-4-12-8(10)11/h6-7H,1-5,9H2
InChIKeyUPGICJVMAYDQHS-UHFFFAOYSA-N
XLogP0.25
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c][1,3]oxazin-6-one
CID 145416397
3-(3-aminocyclobutyl)-1,3-oxazinan-2-one
CID 61348854
3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
CID 170450240
(4aR,5S)-5-methoxy-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 11789658
2-[3-(2-oxo-1,3-oxazolidin-3-yl)cyclopentyl]acetic acid
CID 130702570
3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
CID 66032181
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
CID 138598218
3-piperidin-4-yl-1,3-oxazinan-2-one
CID 22137522
(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 143875837
3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 135177505
3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 138608058
(4aS,7S)-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazine-7-carboxylic acid
CID 129388992

Frequently Asked Questions

What is the IUPAC name of 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one?
The IUPAC name of 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one (CID 167119887) is 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one.
What is the SMILES notation for 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one?
The canonical SMILES for 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one is NOC1CCN2C(=O)OCCC2C1.
What is the InChIKey of 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one?
The InChIKey is UPGICJVMAYDQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-13-7-1-3-10-6(5-7)2-4-12-8(10)11/h6-7H,1-5,9H2.
What are the key properties of 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one?
6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one has a molecular weight of 186.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one is sourced from PubChem (CID 167119887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).