2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine

C6H9BrN2O — CID 21292274

IUPAC2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1cc(Br)no1
InChIInChI=1S/C6H9BrN2O/c1-6(2,8)4-3-5(7)9-10-4/h3H,8H2,1-2H3
InChIKeyYJUHIPTWAMGWLE-UHFFFAOYSA-N
MW205.06 g/mol
LogP1.63
Rot. Bonds1

About 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine

2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine (PubChem CID 21292274) has the molecular formula C6H9BrN2O and a molecular weight of 205.06 g/mol. Its IUPAC name is 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine
PubChem CID21292274
Molecular FormulaC6H9BrN2O
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1cc(Br)no1
InChIInChI=1S/C6H9BrN2O/c1-6(2,8)4-3-5(7)9-10-4/h3H,8H2,1-2H3
InChIKeyYJUHIPTWAMGWLE-UHFFFAOYSA-N
XLogP1.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine (CID 21292274) is 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine is CC(C)(N)c1cc(Br)no1.
What is the InChIKey of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine?
The InChIKey is YJUHIPTWAMGWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-6(2,8)4-3-5(7)9-10-4/h3H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine?
2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine has a molecular weight of 205.06 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine is sourced from PubChem (CID 21292274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).