(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium

C11H15ClNO+ — CID 6948958

IUPAC(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium
SMILESCC1(C)CO[C@@H](c2cccc(Cl)c2)[NH2+]1
InChIInChI=1S/C11H14ClNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6,10,13H,7H2,1-2H3/p+1/t10-/m0/s1
InChIKeyRRBXUQDCHSUXJY-JTQLQIEISA-O
MW212.70 g/mol
LogP1.71
Rot. Bonds1

About (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium

(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium (PubChem CID 6948958) has the molecular formula C11H15ClNO+ and a molecular weight of 212.70 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium
PubChem CID6948958
Molecular FormulaC11H15ClNO+
Molecular Weight212.70 g/mol
Exact Mass212.08
IUPAC Name(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium
SMILESCC1(C)CO[C@@H](c2cccc(Cl)c2)[NH2+]1
InChIInChI=1S/C11H14ClNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6,10,13H,7H2,1-2H3/p+1/t10-/m0/s1
InChIKeyRRBXUQDCHSUXJY-JTQLQIEISA-O
XLogP1.71
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium?
The IUPAC name of (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium (CID 6948958) is (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium is CC1(C)CO[C@@H](c2cccc(Cl)c2)[NH2+]1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium?
The InChIKey is RRBXUQDCHSUXJY-JTQLQIEISA-O. The full InChI is InChI=1S/C11H14ClNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6,10,13H,7H2,1-2H3/p+1/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium?
(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium has a molecular weight of 212.70 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium is sourced from PubChem (CID 6948958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).