Summary

IMPPAT Phytochemical identifier: IMPHY017913

Phytochemical name: 4H-1,3-oxazin

Synonymous chemical names:
4h-1,3-oxazin

Chemical structure information

SMILES:
C1OC=CC=N1

InChI:
InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1-3H,4H2

InChIKey:
KGWNRZLPXLBMPS-UHFFFAOYSA-N

DeepSMILES:
COC=CC=N6

Functional groups:
C1=COCN=C1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=COCN=C1

Scaffold Graph/Node level:
C1CNCOC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxazines

ClassyFire Subclass: 1,3-oxazines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.218

---

Chemical structure download