(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H11Cl2NO2 — CID 171184596

IUPAC(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cccc(Cl)c1[C@@H]1COC(=O)N1.Cl
InChIInChI=1S/C10H10ClNO2.ClH/c1-6-3-2-4-7(11)9(6)8-5-14-10(13)12-8;/h2-4,8H,5H2,1H3,(H,12,13);1H/t8-;/m0./s1
InChIKeyCHDNMDIKTVVBFU-QRPNPIFTSA-N
MW248.11 g/mol
LogP2.85
Rot. Bonds1

About (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184596) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184596
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cccc(Cl)c1[C@@H]1COC(=O)N1.Cl
InChIInChI=1S/C10H10ClNO2.ClH/c1-6-3-2-4-7(11)9(6)8-5-14-10(13)12-8;/h2-4,8H,5H2,1H3,(H,12,13);1H/t8-;/m0./s1
InChIKeyCHDNMDIKTVVBFU-QRPNPIFTSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188497
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
(4S)-4-(2-chloro-6-methylphenyl)imidazolidin-2-one
CID 131150939
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184660
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131484932

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184596) is (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride is Cc1cccc(Cl)c1[C@@H]1COC(=O)N1.Cl.
What is the InChIKey of (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is CHDNMDIKTVVBFU-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10ClNO2.ClH/c1-6-3-2-4-7(11)9(6)8-5-14-10(13)12-8;/h2-4,8H,5H2,1H3,(H,12,13);1H/t8-;/m0./s1.
What are the key properties of (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 248.11 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).