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

C11H10BrN3O4 — CID 175505783

IUPAC3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(CN2COCO2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3O4/c12-8-1-3-9(4-2-8)15-11(16)19-10(13-15)5-14-6-17-7-18-14/h1-4H,5-7H2
InChIKeyDTXPCYXOSOIKRD-UHFFFAOYSA-N
MW328.12 g/mol
LogP1.27
Rot. Bonds3

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

3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one (PubChem CID 175505783) has the molecular formula C11H10BrN3O4 and a molecular weight of 328.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one
PubChem CID175505783
Molecular FormulaC11H10BrN3O4
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC Name3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(CN2COCO2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3O4/c12-8-1-3-9(4-2-8)15-11(16)19-10(13-15)5-14-6-17-7-18-14/h1-4H,5-7H2
InChIKeyDTXPCYXOSOIKRD-UHFFFAOYSA-N
XLogP1.27
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one (CID 175505783) is 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one is O=c1oc(CN2COCO2)nn1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is DTXPCYXOSOIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4/c12-8-1-3-9(4-2-8)15-11(16)19-10(13-15)5-14-6-17-7-18-14/h1-4H,5-7H2.
What are the key properties of 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 328.12 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(1,4,2-dioxazolidin-2-ylmethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 175505783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).