4,5-dihydro-1,3-oxazole;hydrobromide

C3H6BrNO — CID 67574283

IUPAC4,5-dihydro-1,3-oxazole;hydrobromide
SMILESBr.C1=NCCO1
InChIInChI=1S/C3H5NO.BrH/c1-2-5-3-4-1;/h3H,1-2H2;1H
InChIKeyGCRCLPHQXHOMHU-UHFFFAOYSA-N
MW151.99 g/mol
LogP0.62
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;hydrobromide

4,5-dihydro-1,3-oxazole;hydrobromide (PubChem CID 67574283) has the molecular formula C3H6BrNO and a molecular weight of 151.99 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;hydrobromide.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;hydrobromide
PubChem CID67574283
Molecular FormulaC3H6BrNO
Molecular Weight151.99 g/mol
Exact Mass150.96
IUPAC Name4,5-dihydro-1,3-oxazole;hydrobromide
SMILESBr.C1=NCCO1
InChIInChI=1S/C3H5NO.BrH/c1-2-5-3-4-1;/h3H,1-2H2;1H
InChIKeyGCRCLPHQXHOMHU-UHFFFAOYSA-N
XLogP0.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.99
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydro-1,3-oxazole;hydrobromide 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 4,5-dihydro-1,3-oxazole;hydrobromide?
The IUPAC name of 4,5-dihydro-1,3-oxazole;hydrobromide (CID 67574283) is 4,5-dihydro-1,3-oxazole;hydrobromide.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;hydrobromide?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;hydrobromide is Br.C1=NCCO1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;hydrobromide?
The InChIKey is GCRCLPHQXHOMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.BrH/c1-2-5-3-4-1;/h3H,1-2H2;1H.
What are the key properties of 4,5-dihydro-1,3-oxazole;hydrobromide?
4,5-dihydro-1,3-oxazole;hydrobromide has a molecular weight of 151.99 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;hydrobromide is sourced from PubChem (CID 67574283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).