2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid

C11H10BrNO4 — CID 70223580

IUPAC2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESO=C(O)CC1NC(=O)OC1c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO4/c12-7-3-1-6(2-4-7)10-8(5-9(14)15)13-11(16)17-10/h1-4,8,10H,5H2,(H,13,16)(H,14,15)
InChIKeyCACYQPRBTFMCJC-UHFFFAOYSA-N
MW300.11 g/mol
LogP2.07
Rot. Bonds3

About 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid

2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 70223580) has the molecular formula C11H10BrNO4 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
PubChem CID70223580
Molecular FormulaC11H10BrNO4
Molecular Weight300.11 g/mol
Exact Mass298.98
IUPAC Name2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESO=C(O)CC1NC(=O)OC1c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO4/c12-7-3-1-6(2-4-7)10-8(5-9(14)15)13-11(16)17-10/h1-4,8,10H,5H2,(H,13,16)(H,14,15)
InChIKeyCACYQPRBTFMCJC-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid (CID 70223580) is 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid is O=C(O)CC1NC(=O)OC1c1ccc(Br)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is CACYQPRBTFMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4/c12-7-3-1-6(2-4-7)10-8(5-9(14)15)13-11(16)17-10/h1-4,8,10H,5H2,(H,13,16)(H,14,15).
What are the key properties of 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 300.11 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 70223580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).