ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate

C9H11FN2O3 — CID 138040527

IUPACethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2(CF)CC2)n1
InChIInChI=1S/C9H11FN2O3/c1-2-14-7(13)6-11-8(15-12-6)9(5-10)3-4-9/h2-5H2,1H3
InChIKeyZGJXTKPROZMOPR-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.25
Rot. Bonds4

About ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 138040527) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID138040527
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Nameethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2(CF)CC2)n1
InChIInChI=1S/C9H11FN2O3/c1-2-14-7(13)6-11-8(15-12-6)9(5-10)3-4-9/h2-5H2,1H3
InChIKeyZGJXTKPROZMOPR-UHFFFAOYSA-N
XLogP1.25
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate (CID 138040527) is ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2(CF)CC2)n1.
What is the InChIKey of ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is ZGJXTKPROZMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-2-14-7(13)6-11-8(15-12-6)9(5-10)3-4-9/h2-5H2,1H3.
What are the key properties of ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 214.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 138040527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).