6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole

C10H10BrN3O2 — CID 91691317

IUPAC6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole
SMILESBrc1cc(N2CCOCC2)c2nonc2c1
InChIInChI=1S/C10H10BrN3O2/c11-7-5-8-10(13-16-12-8)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKeyUXWQGOYNUYIOKI-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.82
Rot. Bonds1

About 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole

6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole (PubChem CID 91691317) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole
PubChem CID91691317
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole
SMILESBrc1cc(N2CCOCC2)c2nonc2c1
InChIInChI=1S/C10H10BrN3O2/c11-7-5-8-10(13-16-12-8)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKeyUXWQGOYNUYIOKI-UHFFFAOYSA-N
XLogP1.82
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole?
The IUPAC name of 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole (CID 91691317) is 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole.
What is the SMILES notation for 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole?
The canonical SMILES for 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole is Brc1cc(N2CCOCC2)c2nonc2c1.
What is the InChIKey of 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole?
The InChIKey is UXWQGOYNUYIOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-7-5-8-10(13-16-12-8)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2.
What are the key properties of 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole?
6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole has a molecular weight of 284.11 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-morpholin-4-yl-2,1,3-benzoxadiazole is sourced from PubChem (CID 91691317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).