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

C10H8BrNO — CID 53421463

IUPAC4-(bromomethyl)-2-phenyl-1,3-oxazole
SMILESBrCc1coc(-c2ccccc2)n1
InChIInChI=1S/C10H8BrNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyAFUZYSXNOXTGNH-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.24
Rot. Bonds2

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

4-(bromomethyl)-2-phenyl-1,3-oxazole (PubChem CID 53421463) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 4-(bromomethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-phenyl-1,3-oxazole
PubChem CID53421463
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name4-(bromomethyl)-2-phenyl-1,3-oxazole
SMILESBrCc1coc(-c2ccccc2)n1
InChIInChI=1S/C10H8BrNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyAFUZYSXNOXTGNH-UHFFFAOYSA-N
XLogP3.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 67407533
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 107440765
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-hept-6-ynyl-2-phenyl-1,3-oxazole
CID 142811788
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-2-phenyl-1,3-oxazole (CID 53421463) is 4-(bromomethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-2-phenyl-1,3-oxazole is BrCc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-(bromomethyl)-2-phenyl-1,3-oxazole?
The InChIKey is AFUZYSXNOXTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 4-(bromomethyl)-2-phenyl-1,3-oxazole?
4-(bromomethyl)-2-phenyl-1,3-oxazole has a molecular weight of 238.08 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 53421463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).