3-bromo-N-propyl-1,2-oxazol-5-amine

C6H9BrN2O — CID 67303466

IUPAC3-bromo-N-propyl-1,2-oxazol-5-amine
SMILESCCCNc1cc(Br)no1
InChIInChI=1S/C6H9BrN2O/c1-2-3-8-6-4-5(7)9-10-6/h4,8H,2-3H2,1H3
InChIKeyVTRGYSCGXROJMD-UHFFFAOYSA-N
MW205.05 g/mol
LogP2.26
Rot. Bonds3

About 3-bromo-N-propyl-1,2-oxazol-5-amine

3-bromo-N-propyl-1,2-oxazol-5-amine (PubChem CID 67303466) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 3-bromo-N-propyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-bromo-N-propyl-1,2-oxazol-5-amine
PubChem CID67303466
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name3-bromo-N-propyl-1,2-oxazol-5-amine
SMILESCCCNc1cc(Br)no1
InChIInChI=1S/C6H9BrN2O/c1-2-3-8-6-4-5(7)9-10-6/h4,8H,2-3H2,1H3
InChIKeyVTRGYSCGXROJMD-UHFFFAOYSA-N
XLogP2.26
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propyl-1,2-oxazol-5-amine?
The IUPAC name of 3-bromo-N-propyl-1,2-oxazol-5-amine (CID 67303466) is 3-bromo-N-propyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-bromo-N-propyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-bromo-N-propyl-1,2-oxazol-5-amine is CCCNc1cc(Br)no1.
What is the InChIKey of 3-bromo-N-propyl-1,2-oxazol-5-amine?
The InChIKey is VTRGYSCGXROJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-2-3-8-6-4-5(7)9-10-6/h4,8H,2-3H2,1H3.
What are the key properties of 3-bromo-N-propyl-1,2-oxazol-5-amine?
3-bromo-N-propyl-1,2-oxazol-5-amine has a molecular weight of 205.05 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propyl-1,2-oxazol-5-amine is sourced from PubChem (CID 67303466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).