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

C20H15FN2O2 — CID 95053043

IUPAC1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C20H15FN2O2/c1-13(24)23-20(18-8-4-6-14-5-2-3-7-17(14)18)25-19(22-23)15-9-11-16(21)12-10-15/h2-12,20H,1H3/t20-/m1/s1
InChIKeyHHOSTXTXGHCGEJ-HXUWFJFHSA-N
MW334.35 g/mol
LogP4.22
Rot. Bonds2

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

1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 95053043) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID95053043
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C20H15FN2O2/c1-13(24)23-20(18-8-4-6-14-5-2-3-7-17(14)18)25-19(22-23)15-9-11-16(21)12-10-15/h2-12,20H,1H3/t20-/m1/s1
InChIKeyHHOSTXTXGHCGEJ-HXUWFJFHSA-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-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707049
[2-[(2R)-3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 850776
1-[5-(4-fluorophenyl)-2-pyridin-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576941
1-[2-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53019708
1-[(2S)-2-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 985876
1-[(2S)-5-naphthalen-1-yl-2-[2-(naphthalen-1-ylmethoxy)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 26984745
[4-[(2S)-3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl] acetate
CID 95053156
1-[3-(3-acetyl-5-naphthalen-1-yl-2H-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 11839849
1-[(2R)-2-naphthalen-2-yl-5-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712559
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-[2-(4-fluorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576921
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
CID 53020463

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 95053043) is 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1cccc2ccccc12.
What is the InChIKey of 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is HHOSTXTXGHCGEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-13(24)23-20(18-8-4-6-14-5-2-3-7-17(14)18)25-19(22-23)15-9-11-16(21)12-10-15/h2-12,20H,1H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-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-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 95053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).