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

C6H7BrN2O — CID 87531135

IUPAC1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine
SMILES[H]/N=C(\CC)c1cc(Br)no1
InChIInChI=1S/C6H7BrN2O/c1-2-4(8)5-3-6(7)9-10-5/h3,8H,2H2,1H3/b8-4+
InChIKeyKZIVPYWXEALMIY-XBXARRHUSA-N
MW203.04 g/mol
LogP2.21
Rot. Bonds2

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

1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine (PubChem CID 87531135) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine.

Molecular Properties

Compound Name1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine
PubChem CID87531135
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine
SMILES[H]/N=C(\CC)c1cc(Br)no1
InChIInChI=1S/C6H7BrN2O/c1-2-4(8)5-3-6(7)9-10-5/h3,8H,2H2,1H3/b8-4+
InChIKeyKZIVPYWXEALMIY-XBXARRHUSA-N
XLogP2.21
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine?
The IUPAC name of 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine (CID 87531135) is 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine.
What is the SMILES notation for 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine?
The canonical SMILES for 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine is [H]/N=C(\CC)c1cc(Br)no1.
What is the InChIKey of 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine?
The InChIKey is KZIVPYWXEALMIY-XBXARRHUSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-4(8)5-3-6(7)9-10-5/h3,8H,2H2,1H3/b8-4+.
What are the key properties of 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine?
1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine has a molecular weight of 203.04 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,2-oxazol-5-yl)propan-1-imine is sourced from PubChem (CID 87531135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).