4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole

C18H16BrNO2 — CID 18617241

IUPAC4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
SMILESBrCc1cccc(OCCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16BrNO2/c19-12-14-5-4-8-17(11-14)21-10-9-16-13-22-18(20-16)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2
InChIKeyQEERQWPGOXWGPV-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.86
Rot. Bonds6

About 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole

4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole (PubChem CID 18617241) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
PubChem CID18617241
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
SMILESBrCc1cccc(OCCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16BrNO2/c19-12-14-5-4-8-17(11-14)21-10-9-16-13-22-18(20-16)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2
InChIKeyQEERQWPGOXWGPV-UHFFFAOYSA-N
XLogP4.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-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

[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium
CID 145482250
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol
CID 135725033
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
1-(bromomethyl)-3-[4-[3-(bromomethyl)phenoxy]butoxy]benzene
CID 71444905
[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl methanimidothioate
CID 142046622
3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanehydrazide
CID 67706985
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
(2R)-1-[[3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 145482293
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid
CID 142216313

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole (CID 18617241) is 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole is BrCc1cccc(OCCc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
The InChIKey is QEERQWPGOXWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c19-12-14-5-4-8-17(11-14)21-10-9-16-13-22-18(20-16)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2.
What are the key properties of 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole has a molecular weight of 358.24 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 18617241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).