1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone

C21H20F2N2O2 — CID 143803163

IUPAC1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
SMILESCCC1CCc2ccccc2C12OC(c1cc(F)ccc1F)=NN2C(C)=O
InChIInChI=1S/C21H20F2N2O2/c1-3-15-9-8-14-6-4-5-7-18(14)21(15)25(13(2)26)24-20(27-21)17-12-16(22)10-11-19(17)23/h4-7,10-12,15H,3,8-9H2,1-2H3
InChIKeySOYBMBFFUMXDGX-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.33
Rot. Bonds2

About 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone

1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone (PubChem CID 143803163) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
PubChem CID143803163
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
SMILESCCC1CCc2ccccc2C12OC(c1cc(F)ccc1F)=NN2C(C)=O
InChIInChI=1S/C21H20F2N2O2/c1-3-15-9-8-14-6-4-5-7-18(14)21(15)25(13(2)26)24-20(27-21)17-12-16(22)10-11-19(17)23/h4-7,10-12,15H,3,8-9H2,1-2H3
InChIKeySOYBMBFFUMXDGX-UHFFFAOYSA-N
XLogP4.33
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3'-(2-aminoethyl)-5-(2,5-difluorophenyl)-6',7'-difluorospiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-quinoline]-3-yl]ethanone
CID 58341229
1-[(3R)-5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]ethanone
CID 58274814
1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
CID 42634516
1-[(2R,3'R)-3'-(2-aminoethyl)-6'-chloro-5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
CID 58274973
1-[(2R,3'R)-3'-(2-aminoethyl)-5-(2-fluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
CID 58274724
1-[(2S,3'S)-3'-(2-aminoethyl)-5-(2,5-difluorophenyl)-6'-fluorospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone;[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-(3-methylcyclobutyl)methanone
CID 123825118
1-[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-2-hydroxypropan-1-one
CID 76751949
1-[(2S,3'S)-3'-(aminomethyl)-5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]ethanone
CID 70844953
[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-(1-methylpiperidin-4-yl)methanone
CID 42634353
cyclopropyl-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]methanone
CID 58274749
1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one
CID 71011325
1-[(2S,3'S)-3'-(2-aminoethyl)-5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]ethanone
CID 58274841

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone (CID 143803163) is 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone is CCC1CCc2ccccc2C12OC(c1cc(F)ccc1F)=NN2C(C)=O.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
The InChIKey is SOYBMBFFUMXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-3-15-9-8-14-6-4-5-7-18(14)21(15)25(13(2)26)24-20(27-21)17-12-16(22)10-11-19(17)23/h4-7,10-12,15H,3,8-9H2,1-2H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone has a molecular weight of 370.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone is sourced from PubChem (CID 143803163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).