2-(3H-dioxazol-4-yl)morpholine

C6H10N2O3 — CID 173462134

IUPAC2-(3H-dioxazol-4-yl)morpholine
SMILESC1=C(C2CNCCO2)NOO1
InChIInChI=1S/C6H10N2O3/c1-2-9-6(3-7-1)5-4-10-11-8-5/h4,6-8H,1-3H2
InChIKeyARIFGJOFUKEJDD-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.72
Rot. Bonds1

About 2-(3H-dioxazol-4-yl)morpholine

2-(3H-dioxazol-4-yl)morpholine (PubChem CID 173462134) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(3H-dioxazol-4-yl)morpholine.

Molecular Properties

Compound Name2-(3H-dioxazol-4-yl)morpholine
PubChem CID173462134
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(3H-dioxazol-4-yl)morpholine
SMILESC1=C(C2CNCCO2)NOO1
InChIInChI=1S/C6H10N2O3/c1-2-9-6(3-7-1)5-4-10-11-8-5/h4,6-8H,1-3H2
InChIKeyARIFGJOFUKEJDD-UHFFFAOYSA-N
XLogP-0.72
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

azane;2-phenylmorpholine
CID 174664757
2-(5-bromothiophen-2-yl)morpholine
CID 60999597
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2S)-2-(furan-2-yl)morpholine
CID 42182763
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
2-(1,3,4-oxadiazol-2-yl)morpholine
CID 105430222
2-pyridin-2-ylmorpholine
CID 19353403
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dioxazol-4-yl)morpholine?
The IUPAC name of 2-(3H-dioxazol-4-yl)morpholine (CID 173462134) is 2-(3H-dioxazol-4-yl)morpholine.
What is the SMILES notation for 2-(3H-dioxazol-4-yl)morpholine?
The canonical SMILES for 2-(3H-dioxazol-4-yl)morpholine is C1=C(C2CNCCO2)NOO1.
What is the InChIKey of 2-(3H-dioxazol-4-yl)morpholine?
The InChIKey is ARIFGJOFUKEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-9-6(3-7-1)5-4-10-11-8-5/h4,6-8H,1-3H2.
What are the key properties of 2-(3H-dioxazol-4-yl)morpholine?
2-(3H-dioxazol-4-yl)morpholine has a molecular weight of 158.16 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dioxazol-4-yl)morpholine is sourced from PubChem (CID 173462134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).