5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one

C8H5BrN2O2 — CID 24874409

IUPAC5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(Br)c2)o1
InChIInChI=1S/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKeyZVWSHDFGLFCEID-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

About 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one

5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 24874409) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID24874409
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(Br)c2)o1
InChIInChI=1S/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKeyZVWSHDFGLFCEID-UHFFFAOYSA-N
XLogP1.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one (CID 24874409) is 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cccc(Br)c2)o1.
What is the InChIKey of 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ZVWSHDFGLFCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12).
What are the key properties of 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one?
5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 241.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 24874409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).