3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one

C11H11BrFNO3 — CID 20785456

IUPAC3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1COC(=O)N1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFNO3/c1-16-5-8-6-17-11(15)14(8)7-2-3-9(12)10(13)4-7/h2-4,8H,5-6H2,1H3
InChIKeyMKBMILQKWVIUHN-UHFFFAOYSA-N
MW304.12 g/mol
LogP2.56
Rot. Bonds3

About 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one

3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 20785456) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID20785456
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1COC(=O)N1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFNO3/c1-16-5-8-6-17-11(15)14(8)7-2-3-9(12)10(13)4-7/h2-4,8H,5-6H2,1H3
InChIKeyMKBMILQKWVIUHN-UHFFFAOYSA-N
XLogP2.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one (CID 20785456) is 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one is COCC1COC(=O)N1c1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is MKBMILQKWVIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-16-5-8-6-17-11(15)14(8)7-2-3-9(12)10(13)4-7/h2-4,8H,5-6H2,1H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one?
3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 304.12 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 20785456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).