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

C14H9BrN2O3 — CID 15077831

IUPAC3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one
SMILESO=c1oc(Oc2ccccc2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O3/c15-10-6-8-11(9-7-10)17-14(18)20-13(16-17)19-12-4-2-1-3-5-12/h1-9H
InChIKeyGTVOSCLTRMZKQY-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.38
Rot. Bonds3

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

3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one (PubChem CID 15077831) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one
PubChem CID15077831
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one
SMILESO=c1oc(Oc2ccccc2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O3/c15-10-6-8-11(9-7-10)17-14(18)20-13(16-17)19-12-4-2-1-3-5-12/h1-9H
InChIKeyGTVOSCLTRMZKQY-UHFFFAOYSA-N
XLogP3.38
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one (CID 15077831) is 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one is O=c1oc(Oc2ccccc2)nn1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one?
The InChIKey is GTVOSCLTRMZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-10-6-8-11(9-7-10)17-14(18)20-13(16-17)19-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one?
3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one has a molecular weight of 333.14 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 15077831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).