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

C20H15BrN2O2 — CID 92707049

IUPAC1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C20H15BrN2O2/c1-13(24)23-20(18-11-5-7-14-6-2-3-10-17(14)18)25-19(22-23)15-8-4-9-16(21)12-15/h2-12,20H,1H3/t20-/m1/s1
InChIKeyFXJKXMNBDNDLBY-HXUWFJFHSA-N
MW395.26 g/mol
LogP4.84
Rot. Bonds2

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

1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 92707049) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID92707049
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C20H15BrN2O2/c1-13(24)23-20(18-11-5-7-14-6-2-3-10-17(14)18)25-19(22-23)15-8-4-9-16(21)12-15/h2-12,20H,1H3/t20-/m1/s1
InChIKeyFXJKXMNBDNDLBY-HXUWFJFHSA-N
XLogP4.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95053043
1-[(2S)-2-(3-bromophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712818
1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063798
1-[(2S)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063797
1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95053066
1-[3-(3-acetyl-5-naphthalen-1-yl-2H-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 11839849
1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 957384
1-[(2R)-2-(3-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 94045757
1-[(2S)-5-naphthalen-1-yl-2-[2-(naphthalen-1-ylmethoxy)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 26984745
1-[(2S)-5-(3-chlorophenyl)-2-(2-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063811
1-[5-(3-methoxyphenyl)-2-(2-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 46352268
[2-(3-acetyl-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-5-yl)-6-methoxy-4-nitrophenyl] acetate
CID 46352321

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 92707049) is 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1cccc2ccccc12.
What is the InChIKey of 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is FXJKXMNBDNDLBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c1-13(24)23-20(18-11-5-7-14-6-2-3-10-17(14)18)25-19(22-23)15-8-4-9-16(21)12-15/h2-12,20H,1H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 395.26 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 92707049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).