(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H11ClFNO2 — CID 171183858

IUPAC(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1ccc([C@H]2COC(=O)N2)cc1F.Cl
InChIInChI=1S/C10H10FNO2.ClH/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9;/h2-4,9H,5H2,1H3,(H,12,13);1H/t9-;/m1./s1
InChIKeyBDTGZBXDQXRCOV-SBSPUUFOSA-N
MW231.65 g/mol
LogP2.34
Rot. Bonds1

About (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183858) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183858
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1ccc([C@H]2COC(=O)N2)cc1F.Cl
InChIInChI=1S/C10H10FNO2.ClH/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9;/h2-4,9H,5H2,1H3,(H,12,13);1H/t9-;/m1./s1
InChIKeyBDTGZBXDQXRCOV-SBSPUUFOSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183858) is (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride is Cc1ccc([C@H]2COC(=O)N2)cc1F.Cl.
What is the InChIKey of (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is BDTGZBXDQXRCOV-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10FNO2.ClH/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9;/h2-4,9H,5H2,1H3,(H,12,13);1H/t9-;/m1./s1.
What are the key properties of (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 231.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).