(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C14H20ClNO2 — CID 171184660

IUPAC(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1c(C)c(C)c([C@@H]2COC(=O)N2)c(C)c1C.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-7-8(2)10(4)13(11(5)9(7)3)12-6-17-14(16)15-12;/h12H,6H2,1-5H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyIZNHZETYKKSCET-YDALLXLXSA-N
MW269.77 g/mol
LogP3.43
Rot. Bonds1

About (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184660) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184660
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1c(C)c(C)c([C@@H]2COC(=O)N2)c(C)c1C.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-7-8(2)10(4)13(11(5)9(7)3)12-6-17-14(16)15-12;/h12H,6H2,1-5H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyIZNHZETYKKSCET-YDALLXLXSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 130146009
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(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-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184660) is (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride is Cc1c(C)c(C)c([C@@H]2COC(=O)N2)c(C)c1C.Cl.
What is the InChIKey of (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is IZNHZETYKKSCET-YDALLXLXSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-7-8(2)10(4)13(11(5)9(7)3)12-6-17-14(16)15-12;/h12H,6H2,1-5H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).