5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine

C10H13BrN2O — CID 79556616

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine
SMILESNc1noc(C2CC3CCC2C3)c1Br
InChIInChI=1S/C10H13BrN2O/c11-8-9(14-13-10(8)12)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,12,13)
InChIKeyYLEGVPQIGXHVDU-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.92
Rot. Bonds1

About 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine

5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine (PubChem CID 79556616) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine
PubChem CID79556616
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine
SMILESNc1noc(C2CC3CCC2C3)c1Br
InChIInChI=1S/C10H13BrN2O/c11-8-9(14-13-10(8)12)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,12,13)
InChIKeyYLEGVPQIGXHVDU-UHFFFAOYSA-N
XLogP2.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine (CID 79556616) is 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine is Nc1noc(C2CC3CCC2C3)c1Br.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine?
The InChIKey is YLEGVPQIGXHVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-9(14-13-10(8)12)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,12,13).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine?
5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine has a molecular weight of 257.13 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine is sourced from PubChem (CID 79556616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).