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

C14H11BrN2O3 — CID 95063798

IUPAC1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccco1
InChIInChI=1S/C14H11BrN2O3/c1-9(18)17-14(12-6-3-7-19-12)20-13(16-17)10-4-2-5-11(15)8-10/h2-8,14H,1H3/t14-/m1/s1
InChIKeyKZIIJIZMSLXQKE-CQSZACIVSA-N
MW335.16 g/mol
LogP3.28
Rot. Bonds2

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

1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 95063798) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID95063798
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccco1
InChIInChI=1S/C14H11BrN2O3/c1-9(18)17-14(12-6-3-7-19-12)20-13(16-17)10-4-2-5-11(15)8-10/h2-8,14H,1H3/t14-/m1/s1
InChIKeyKZIIJIZMSLXQKE-CQSZACIVSA-N
XLogP3.28
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707049
1-[(2S)-2-(3-bromophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712818
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)-2-(5-bromo-2,4-dimethoxyphenyl)-5-(3-iodophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 98334382
1-[2-(5-bromo-2,4-dimethoxyphenyl)-5-(3-chlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22577021
1-[(2S)-5-(3-nitrophenyl)-2-[5-(3-nitrophenyl)furan-2-yl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063785
1-[(2R)-5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 98288023
1-[(2S)-5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 98288021
N-[3-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-bromobenzamide
CID 95053171

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 95063798) is 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccco1.
What is the InChIKey of 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is KZIIJIZMSLXQKE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-9(18)17-14(12-6-3-7-19-12)20-13(16-17)10-4-2-5-11(15)8-10/h2-8,14H,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 335.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 95063798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).