(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole

C10H9BrFNO — CID 99993938

IUPAC(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccccc1C1=NO[C@H](CBr)C1
InChIInChI=1S/C10H9BrFNO/c11-6-7-5-10(13-14-7)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyYINLLFKTRKNDHF-ZETCQYMHSA-N
MW258.09 g/mol
LogP2.71
Rot. Bonds2

About (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole

(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 99993938) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID99993938
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccccc1C1=NO[C@H](CBr)C1
InChIInChI=1S/C10H9BrFNO/c11-6-7-5-10(13-14-7)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyYINLLFKTRKNDHF-ZETCQYMHSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-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

CID 71561968
CID 71561968
CID 71561970
CID 71561970
CID 71561972
CID 71561972
CID 12384704
CID 12384704
CID 71561971
CID 71561971
CID 71562089
CID 71562089
CID 71561969
CID 71561969
CID 42647385
CID 42647385
CID 60195260
CID 60195260
CID 71451462
CID 71451462
CID 71462180
CID 71462180
CID 12184589
CID 12184589

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 99993938) is (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1ccccc1C1=NO[C@H](CBr)C1.
What is the InChIKey of (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is YINLLFKTRKNDHF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9BrFNO/c11-6-7-5-10(13-14-7)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2/t7-/m0/s1.
What are the key properties of (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 258.09 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 99993938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).