2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine

C10H11BrN2O — CID 81494751

IUPAC2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2cccc(Br)c2o1
InChIInChI=1S/C10H11BrN2O/c1-10(2,12)9-13-7-5-3-4-6(11)8(7)14-9/h3-5H,12H2,1-2H3
InChIKeyCMZCFPYWKHULJZ-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.78
Rot. Bonds1

About 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine

2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine (PubChem CID 81494751) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
PubChem CID81494751
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2cccc(Br)c2o1
InChIInChI=1S/C10H11BrN2O/c1-10(2,12)9-13-7-5-3-4-6(11)8(7)14-9/h3-5H,12H2,1-2H3
InChIKeyCMZCFPYWKHULJZ-UHFFFAOYSA-N
XLogP2.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine?
The IUPAC name of 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine (CID 81494751) is 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine is CC(C)(N)c1nc2cccc(Br)c2o1.
What is the InChIKey of 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine?
The InChIKey is CMZCFPYWKHULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-10(2,12)9-13-7-5-3-4-6(11)8(7)14-9/h3-5H,12H2,1-2H3.
What are the key properties of 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine?
2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine has a molecular weight of 255.12 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine is sourced from PubChem (CID 81494751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).