Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004841

Phytochemical name: 2,4,5-Trimethyloxazole

Synonymous chemical names:
2,4,5-trimethyloxazole

External chemical identifiers:
CID:CID_30215, ZINC:ZINC000000003184, FDASRS:B04PF51WXI, SureChEMBL:SCHEMBL76903, MolPort-003-927-478

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Chemical structure information

SMILES:
Cc1oc(c(n1)C)C

InChI:
InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3

InChIKey:
ZRLDBDZSLLGDOX-UHFFFAOYSA-N

DeepSMILES:
Ccoccn5)C))C

Functional groups:
coc, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cocn1

Scaffold Graph/Node level:
C1COCN1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Oxazoles

NP-Likeness score: -1.321

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Chemical structure download