1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

C20H15FN2O2 — CID 57394120

IUPAC1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1cccc(F)c1
InChIInChI=1S/C20H15FN2O2/c1-13(24)23-20(17-7-4-8-18(21)12-17)25-19(22-23)16-10-9-14-5-2-3-6-15(14)11-16/h2-12,20H,1H3
InChIKeyIOATWPHRTJUBPU-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.22
Rot. Bonds2

About 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 57394120) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID57394120
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1cccc(F)c1
InChIInChI=1S/C20H15FN2O2/c1-13(24)23-20(17-7-4-8-18(21)12-17)25-19(22-23)16-10-9-14-5-2-3-6-15(14)11-16/h2-12,20H,1H3
InChIKeyIOATWPHRTJUBPU-UHFFFAOYSA-N
XLogP4.22
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-bis(4-methylphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3107378
1-[5-(4-methylphenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3897232
3-[4-[(2,4-Dimethylphenyl)methyl-methylamino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 155518554
1-[2-(4-fluorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579012
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 56951303
1-[2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579013
1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 57395897
1-[2-(3-Bromophenyl)-5-(naphthalen-2-YL)-2,3-dihydro-1,3,4-oxadiazol-3-YL]ethan-1-one
CID 22577211
1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579009
1-[(2S)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 56665611
1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 57394119

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 57394120) is 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is IOATWPHRTJUBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-13(24)23-20(17-7-4-8-18(21)12-17)25-19(22-23)16-10-9-14-5-2-3-6-15(14)11-16/h2-12,20H,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 334.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 57394120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).