(4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C13H16BrNO4 — CID 135361412

IUPAC(4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@@H](COc2ccc(Br)cc2)N1C(=O)O
InChIInChI=1S/C13H16BrNO4/c1-13(2)15(12(16)17)10(8-19-13)7-18-11-5-3-9(14)4-6-11/h3-6,10H,7-8H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyYRZABQXPGCPTGA-SNVBAGLBSA-N
MW330.18 g/mol
LogP2.94
Rot. Bonds3

About (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 135361412) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID135361412
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name(4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@@H](COc2ccc(Br)cc2)N1C(=O)O
InChIInChI=1S/C13H16BrNO4/c1-13(2)15(12(16)17)10(8-19-13)7-18-11-5-3-9(14)4-6-11/h3-6,10H,7-8H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyYRZABQXPGCPTGA-SNVBAGLBSA-N
XLogP2.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 135361412) is (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OC[C@@H](COc2ccc(Br)cc2)N1C(=O)O.
What is the InChIKey of (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is YRZABQXPGCPTGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-13(2)15(12(16)17)10(8-19-13)7-18-11-5-3-9(14)4-6-11/h3-6,10H,7-8H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 330.18 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-bromophenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 135361412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).