Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018124

Phytochemical name: Benzoxazole, 2-(diethylamino)-

Synonymous chemical names:
Benzoxazole, 2-(diethylamino)-

External chemical identifiers:
CID:CID_271420

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Chemical structure information

SMILES:
CCN(c1nc2c(o1)cccc2)CC

InChI:
InChI=1S/C11H14N2O/c1-3-13(4-2)11-12-9-7-5-6-8-10(9)14-11/h5-8H,3-4H2,1-2H3

InChIKey:
LQGJLZVVRFSUBM-UHFFFAOYSA-N

DeepSMILES:
CCNcncco5)cccc6))))))))CC

Functional groups:
cN(C)C, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ocnc2c1

Scaffold Graph/Node level:
C1CCC2OCNC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzoxazoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -1.087

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Chemical structure download