2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole

C12H14BrNO — CID 4145171

IUPAC2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(Cc2ccc(Br)cc2)=N1
InChIInChI=1S/C12H14BrNO/c1-12(2)8-15-11(14-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyGGGPTRNPZNKRFM-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.20
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 4145171) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID4145171
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(Cc2ccc(Br)cc2)=N1
InChIInChI=1S/C12H14BrNO/c1-12(2)8-15-11(14-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyGGGPTRNPZNKRFM-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole (CID 4145171) is 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(Cc2ccc(Br)cc2)=N1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GGGPTRNPZNKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2)8-15-11(14-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 268.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 4145171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).