ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

C14H13FN2O3 — CID 79472477

IUPACethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C14H13FN2O3/c1-2-19-13(18)14(7-8-14)12-16-11(17-20-12)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyITALSHLUEJMIIM-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.47
Rot. Bonds4

About ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79472477) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79472477
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Nameethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C14H13FN2O3/c1-2-19-13(18)14(7-8-14)12-16-11(17-20-12)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyITALSHLUEJMIIM-UHFFFAOYSA-N
XLogP2.47
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 82789213
ethyl 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480061
ethyl 1-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 79480611
ethyl 2,2-dimethyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-dioxane-5-carboxylate
CID 122581746
ethyl 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 115529500
ethyl 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116743986
methyl 1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733584
ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79472027
ethyl 1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472575
ethyl 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480058
ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
CID 169171819
ethyl 1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472255

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79472477) is ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is ITALSHLUEJMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-2-19-13(18)14(7-8-14)12-16-11(17-20-12)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 276.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79472477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).