5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole

C15H20BrNO — CID 79986790

IUPAC5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole
SMILESBrCc1ncoc1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20BrNO/c16-8-13-14(18-9-17-13)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h9-12H,1-8H2
InChIKeyFHINYAPPUTZKSU-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.33
Rot. Bonds3

About 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole

5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole (PubChem CID 79986790) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole
PubChem CID79986790
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole
SMILESBrCc1ncoc1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20BrNO/c16-8-13-14(18-9-17-13)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h9-12H,1-8H2
InChIKeyFHINYAPPUTZKSU-UHFFFAOYSA-N
XLogP4.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.33
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)-5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole
CID 81934545
4-(Bromomethyl)-5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazole
CID 81934566
4-(Bromomethyl)-5-(4,4-difluorocyclohexyl)-1,3-oxazole
CID 81934567
4-(Bromomethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole
CID 104622969
4-(1-Adamantyl)-2,5-dimethyl-1,3-oxazole
CID 2836019
5-(5-Methylhexyl)-4-(2-methylpropyl)-1,3-oxazole
CID 22891115
5-(Cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
CID 58157884
5-(Cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
CID 58157912
4-(Cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole
CID 58157945
4-(Bromomethyl)-5-cyclohexyl-1,3-oxazole
CID 79154362
4-(Bromomethyl)-5-(1-methylcyclopentyl)-1,3-oxazole
CID 80271072
4-(Bromomethyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,3-oxazole
CID 80271152

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole?
The IUPAC name of 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole (CID 79986790) is 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole?
The canonical SMILES for 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole is BrCc1ncoc1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole?
The InChIKey is FHINYAPPUTZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-8-13-14(18-9-17-13)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h9-12H,1-8H2.
What are the key properties of 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole?
5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole has a molecular weight of 310.24 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantylmethyl)-4-(bromomethyl)-1,3-oxazole is sourced from PubChem (CID 79986790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).