4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one

C12H14ClNO2 — CID 70023307

IUPAC4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one
SMILESCC1NC(C)(Cc2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C12H14ClNO2/c1-8-14-12(2,11(15)16-8)7-9-3-5-10(13)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyMWBUGKZLMIKUQL-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.13
Rot. Bonds2

About 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one

4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one (PubChem CID 70023307) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one
PubChem CID70023307
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one
SMILESCC1NC(C)(Cc2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C12H14ClNO2/c1-8-14-12(2,11(15)16-8)7-9-3-5-10(13)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyMWBUGKZLMIKUQL-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one (CID 70023307) is 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one is CC1NC(C)(Cc2ccc(Cl)cc2)C(=O)O1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one?
The InChIKey is MWBUGKZLMIKUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-14-12(2,11(15)16-8)7-9-3-5-10(13)6-4-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one?
4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one has a molecular weight of 239.70 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2,4-dimethyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 70023307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).