Summary

IMPPAT Phytochemical identifier: IMPHY012811

Phytochemical name: 2,3,4-Trimethyl-5-phenyloxazolidine

Synonymous chemical names:
2,3,4-trimethyl-5-phenyloxazolidine

External chemical identifiers:
CID:5322112

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Chemical structure information

SMILES:
CN1C(C)OC(C1C)c1ccccc1

InChI:
InChI=1S/C12H17NO/c1-9-12(14-10(2)13(9)3)11-7-5-4-6-8-11/h4-10,12H,1-3H3

InChIKey:
HHPJDYZRNRHFBT-UHFFFAOYSA-N

DeepSMILES:
CNCC)OCC5C))cccccc6

Functional groups:
CC1OCCN1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CNCO2)cc1

Scaffold Graph/Node level:
C1CCC(C2CNCO2)CC1

Scaffold Graph level:
C1CCC(C2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: 1.08

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Chemical structure download