5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine

C10H9BrN2O — CID 84707797

IUPAC5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine
SMILESBrc1ccc2noc(NC3CC3)c2c1
InChIInChI=1S/C10H9BrN2O/c11-6-1-4-9-8(5-6)10(14-13-9)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKeyKSWRINQEFIIBSB-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.16
Rot. Bonds2

About 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine

5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine (PubChem CID 84707797) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine
PubChem CID84707797
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine
SMILESBrc1ccc2noc(NC3CC3)c2c1
InChIInChI=1S/C10H9BrN2O/c11-6-1-4-9-8(5-6)10(14-13-9)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKeyKSWRINQEFIIBSB-UHFFFAOYSA-N
XLogP3.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine (CID 84707797) is 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine is Brc1ccc2noc(NC3CC3)c2c1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine?
The InChIKey is KSWRINQEFIIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-6-1-4-9-8(5-6)10(14-13-9)12-7-2-3-7/h1,4-5,7,12H,2-3H2.
What are the key properties of 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine?
5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine has a molecular weight of 253.10 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine is sourced from PubChem (CID 84707797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).