2-bromo-4,5-dihydro-1,3-oxazole

C3H4BrNO — CID 22420304

IUPAC2-bromo-4,5-dihydro-1,3-oxazole
SMILESBrC1=NCCO1
InChIInChI=1S/C3H4BrNO/c4-3-5-1-2-6-3/h1-2H2
InChIKeyUUIFZHAYOYKEPQ-UHFFFAOYSA-N
MW149.97 g/mol
LogP0.77
Rot. Bonds

About 2-bromo-4,5-dihydro-1,3-oxazole

2-bromo-4,5-dihydro-1,3-oxazole (PubChem CID 22420304) has the molecular formula C3H4BrNO and a molecular weight of 149.97 g/mol. Its IUPAC name is 2-bromo-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4,5-dihydro-1,3-oxazole
PubChem CID22420304
Molecular FormulaC3H4BrNO
Molecular Weight149.97 g/mol
Exact Mass148.95
IUPAC Name2-bromo-4,5-dihydro-1,3-oxazole
SMILESBrC1=NCCO1
InChIInChI=1S/C3H4BrNO/c4-3-5-1-2-6-3/h1-2H2
InChIKeyUUIFZHAYOYKEPQ-UHFFFAOYSA-N
XLogP0.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.97
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4,5-dihydro-1,3-oxazole 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 2-bromo-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-bromo-4,5-dihydro-1,3-oxazole (CID 22420304) is 2-bromo-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-bromo-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-bromo-4,5-dihydro-1,3-oxazole is BrC1=NCCO1.
What is the InChIKey of 2-bromo-4,5-dihydro-1,3-oxazole?
The InChIKey is UUIFZHAYOYKEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrNO/c4-3-5-1-2-6-3/h1-2H2.
What are the key properties of 2-bromo-4,5-dihydro-1,3-oxazole?
2-bromo-4,5-dihydro-1,3-oxazole has a molecular weight of 149.97 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22420304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).