4-(bromomethyl)-2-chloro-1,3-oxazole

C4H3BrClNO — CID 11159912

IUPAC4-(bromomethyl)-2-chloro-1,3-oxazole
SMILESClc1nc(CBr)co1
InChIInChI=1S/C4H3BrClNO/c5-1-3-2-8-4(6)7-3/h2H,1H2
InChIKeyLSGZUOHCHISPLI-UHFFFAOYSA-N
MW196.43 g/mol
LogP2.22
Rot. Bonds1

About 4-(bromomethyl)-2-chloro-1,3-oxazole

4-(bromomethyl)-2-chloro-1,3-oxazole (PubChem CID 11159912) has the molecular formula C4H3BrClNO and a molecular weight of 196.43 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1,3-oxazole
PubChem CID11159912
Molecular FormulaC4H3BrClNO
Molecular Weight196.43 g/mol
Exact Mass194.91
IUPAC Name4-(bromomethyl)-2-chloro-1,3-oxazole
SMILESClc1nc(CBr)co1
InChIInChI=1S/C4H3BrClNO/c5-1-3-2-8-4(6)7-3/h2H,1H2
InChIKeyLSGZUOHCHISPLI-UHFFFAOYSA-N
XLogP2.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-2-chloro-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

Related Compounds

4-(Bromomethyl)-1,3-oxazole
CID 44119601
2-Bromo-4-methyl-1,3-oxazole
CID 46912010
2-Iodo-4-methyl-1,3-oxazole
CID 57682489
2-Bromo-1,3-oxazole-4-carbonitrile
CID 68563492
2-Bromo-4-(trifluoromethyl)-1,3-oxazole
CID 72212317
2-Chloro-1,3-oxazole-4-carbaldehyde
CID 72212326
2-Bromo-4-(difluoromethyl)-1,3-oxazole
CID 84774745
2-Bromo-4-(bromomethyl)oxazole
CID 129956646
2-Bromo-4-methyl-1,3-oxazole hydrochloride
CID 112756516
4-(Bromomethyl)-2-(trifluoromethyl)-1,3-oxazole
CID 132992785
4-(Bromomethyl)-2-(difluoromethyl)-1,3-oxazole
CID 132992786
2-Chloro-4-methyl-1,3-oxazole hydrochloride
CID 139022515

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-2-chloro-1,3-oxazole (CID 11159912) is 4-(bromomethyl)-2-chloro-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1,3-oxazole is Clc1nc(CBr)co1.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1,3-oxazole?
The InChIKey is LSGZUOHCHISPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClNO/c5-1-3-2-8-4(6)7-3/h2H,1H2.
What are the key properties of 4-(bromomethyl)-2-chloro-1,3-oxazole?
4-(bromomethyl)-2-chloro-1,3-oxazole has a molecular weight of 196.43 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-1,3-oxazole is sourced from PubChem (CID 11159912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).