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

C16H13BrN2O2 — CID 957384

IUPAC1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c1-11(20)19-16(13-7-9-14(17)10-8-13)21-15(18-19)12-5-3-2-4-6-12/h2-10,16H,1H3/t16-/m1/s1
InChIKeyFJXJFYCGHCXCOM-MRXNPFEDSA-N
MW345.20 g/mol
LogP3.69
Rot. Bonds2

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

1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 957384) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID957384
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c1-11(20)19-16(13-7-9-14(17)10-8-13)21-15(18-19)12-5-3-2-4-6-12/h2-10,16H,1H3/t16-/m1/s1
InChIKeyFJXJFYCGHCXCOM-MRXNPFEDSA-N
XLogP3.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 957384) is 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is FJXJFYCGHCXCOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11(20)19-16(13-7-9-14(17)10-8-13)21-15(18-19)12-5-3-2-4-6-12/h2-10,16H,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 345.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 957384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).