6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole

C11H11BrN2O — CID 84808001

IUPAC6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole
SMILESBrc1ccc2c(C3CCNC3)onc2c1
InChIInChI=1S/C11H11BrN2O/c12-8-1-2-9-10(5-8)14-15-11(9)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKeyJSEWJUQBIWFYED-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.67
Rot. Bonds1

About 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole

6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole (PubChem CID 84808001) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole.

Molecular Properties

Compound Name6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole
PubChem CID84808001
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole
SMILESBrc1ccc2c(C3CCNC3)onc2c1
InChIInChI=1S/C11H11BrN2O/c12-8-1-2-9-10(5-8)14-15-11(9)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKeyJSEWJUQBIWFYED-UHFFFAOYSA-N
XLogP2.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
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2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
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5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
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3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole?
The IUPAC name of 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole (CID 84808001) is 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole.
What is the SMILES notation for 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole?
The canonical SMILES for 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole is Brc1ccc2c(C3CCNC3)onc2c1.
What is the InChIKey of 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole?
The InChIKey is JSEWJUQBIWFYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-8-1-2-9-10(5-8)14-15-11(9)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2.
What are the key properties of 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole?
6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole has a molecular weight of 267.13 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole is sourced from PubChem (CID 84808001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).