(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one

C10H10BrNO2 — CID 171184420

IUPAC(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc([C@@H]2COC(=O)N2)cc1Br
InChIInChI=1S/C10H10BrNO2/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPEPACHFJBKLANV-VIFPVBQESA-N
MW256.10 g/mol
LogP2.54
Rot. Bonds1

About (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one

(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 171184420) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID171184420
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc([C@@H]2COC(=O)N2)cc1Br
InChIInChI=1S/C10H10BrNO2/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPEPACHFJBKLANV-VIFPVBQESA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131100701
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187987
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187988
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one (CID 171184420) is (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc([C@@H]2COC(=O)N2)cc1Br.
What is the InChIKey of (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is PEPACHFJBKLANV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).