Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007083

Phytochemical name: 4H-1,3-oxazin

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

External chemical identifiers:
CID:CID_15173883

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Chemical structure information

SMILES:
C1C=COC=N1

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

InChIKey:
IQOZTIKBIHWYQQ-UHFFFAOYSA-N

DeepSMILES:
CC=COC=N6

Functional groups:
C1=COC=NC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=COC=NC1

Scaffold Graph/Node level:
C1CNCOC1

Scaffold Graph level:
C1CCCCC1

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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: 1.067

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Chemical structure download