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

C11H11BrN2O — CID 84711773

IUPAC7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
SMILESBrc1cccc2c(C3CCNC3)noc12
InChIInChI=1S/C11H11BrN2O/c12-9-3-1-2-8-10(14-15-11(8)9)7-4-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyQXEKIDPJFXCHJT-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.67
Rot. Bonds1

About 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole

7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole (PubChem CID 84711773) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole.

Molecular Properties

Compound Name7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
PubChem CID84711773
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
SMILESBrc1cccc2c(C3CCNC3)noc12
InChIInChI=1S/C11H11BrN2O/c12-9-3-1-2-8-10(14-15-11(8)9)7-4-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyQXEKIDPJFXCHJT-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole?
The IUPAC name of 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole (CID 84711773) is 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole.
What is the SMILES notation for 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole?
The canonical SMILES for 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole is Brc1cccc2c(C3CCNC3)noc12.
What is the InChIKey of 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole?
The InChIKey is QXEKIDPJFXCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-9-3-1-2-8-10(14-15-11(8)9)7-4-5-13-6-7/h1-3,7,13H,4-6H2.
What are the key properties of 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole?
7-bromo-3-pyrrolidin-3-yl-1,2-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 7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole is sourced from PubChem (CID 84711773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).