2H-1,3-Oxazine
PubChem CID: 15560522
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| Compound Synonyms | 2H-1,3-Oxazine, 1,3-oxazine, 290-04-0, DTXSID40574159, DTXCID80524931 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 21.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COC=CC=N6 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Oxazines |
| Scaffold Graph Node Level | C1CNCOC1 |
| Classyfire Subclass | 1,3-oxazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2H-1,3-oxazine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H5NO |
| Scaffold Graph Node Bond Level | C1=COCN=C1 |
| Inchi Key | KGWNRZLPXLBMPS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4h-1,3-oxazin |
| Esol Class | Very soluble |
| Functional Groups | C1=COCN=C1 |
| Compound Name | 2H-1,3-Oxazine |
| Exact Mass | 83.0371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 83.0371 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 83.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1-3H,4H2 |
| Smiles | C1N=CC=CO1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Infortunatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1024448