2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine

C13H18BrNO — CID 117228653

IUPAC2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1(C)COC(C)(Cc2ccc(Br)cc2)N1
InChIInChI=1S/C13H18BrNO/c1-12(2)9-16-13(3,15-12)8-10-4-6-11(14)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyJPQKAHFSSWBFFO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.11
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine

2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 117228653) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID117228653
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1(C)COC(C)(Cc2ccc(Br)cc2)N1
InChIInChI=1S/C13H18BrNO/c1-12(2)9-16-13(3,15-12)8-10-4-6-11(14)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyJPQKAHFSSWBFFO-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine (CID 117228653) is 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine is CC1(C)COC(C)(Cc2ccc(Br)cc2)N1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is JPQKAHFSSWBFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-12(2)9-16-13(3,15-12)8-10-4-6-11(14)7-5-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 284.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).