(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

C11H11BrFNO2 — CID 68813832

IUPAC(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(Br)cc2F)C(=O)O1
InChIInChI=1S/C11H11BrFNO2/c1-7-5-14(11(15)16-7)6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6H2,1H3/t7-/m1/s1
InChIKeyQUOQDEPTWKRZIB-SSDOTTSWSA-N
MW288.12 g/mol
LogP2.93
Rot. Bonds2

About (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 68813832) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID68813832
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(Br)cc2F)C(=O)O1
InChIInChI=1S/C11H11BrFNO2/c1-7-5-14(11(15)16-7)6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6H2,1H3/t7-/m1/s1
InChIKeyQUOQDEPTWKRZIB-SSDOTTSWSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US10662159, Example 8
CID 138619137
tert-butyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
CID 59166082
US10662159, Example 15
CID 138619174
(5R)-5-[[benzyl-[(2-bromophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752611
(5R)-5-[[benzyl-[(4-bromophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752748
3-Benzyl-5-fluoro-1,3-oxazolidin-2-one
CID 23656676
3-[1-(4-Fluorophenyl)ethyl]-1,3-oxazolidin-2-one
CID 85872481
tert-butyl N-[(2-bromo-5-fluorophenyl)methyl]-N-(2-methylprop-2-enyl)carbamate
CID 102404977
tert-butyl 2-[(Z)-2-(4-bromophenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate
CID 177852533
(s)-Tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 57899258
(4R,5S)-3-benzyl-4-methyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 100998257
1-Ethoxycarbonyl-4-(4-bromo-2,5-difluorophenyl)-1,2,3,6-tetrahydropyridine
CID 14770819

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 68813832) is (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(Br)cc2F)C(=O)O1.
What is the InChIKey of (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is QUOQDEPTWKRZIB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-7-5-14(11(15)16-7)6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 288.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 68813832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).