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

C10H10BrN3O2 — CID 5303318

IUPAC4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole
SMILESBrc1cc(N2CCOCC2)cc2nonc12
InChIInChI=1S/C10H10BrN3O2/c11-8-5-7(14-1-3-15-4-2-14)6-9-10(8)13-16-12-9/h5-6H,1-4H2
InChIKeyKBUCWOUNDACKGT-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.82
Rot. Bonds1

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

4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole (PubChem CID 5303318) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole
PubChem CID5303318
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole
SMILESBrc1cc(N2CCOCC2)cc2nonc12
InChIInChI=1S/C10H10BrN3O2/c11-8-5-7(14-1-3-15-4-2-14)6-9-10(8)13-16-12-9/h5-6H,1-4H2
InChIKeyKBUCWOUNDACKGT-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 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole?
The IUPAC name of 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole (CID 5303318) is 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole is Brc1cc(N2CCOCC2)cc2nonc12.
What is the InChIKey of 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole?
The InChIKey is KBUCWOUNDACKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-8-5-7(14-1-3-15-4-2-14)6-9-10(8)13-16-12-9/h5-6H,1-4H2.
What are the key properties of 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole?
4-bromo-6-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 4-bromo-6-morpholin-4-yl-2,1,3-benzoxadiazole is sourced from PubChem (CID 5303318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).