5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one

C12H14ClNO2 — CID 23176760

IUPAC5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one
SMILESCN1OC(c2ccccc2Cl)C(C)(C)C1=O
InChIInChI=1S/C12H14ClNO2/c1-12(2)10(16-14(3)11(12)15)8-6-4-5-7-9(8)13/h4-7,10H,1-3H3
InChIKeyZLLSMRUTRQCBKB-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.81
Rot. Bonds1

About 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one

5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one (PubChem CID 23176760) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one
PubChem CID23176760
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one
SMILESCN1OC(c2ccccc2Cl)C(C)(C)C1=O
InChIInChI=1S/C12H14ClNO2/c1-12(2)10(16-14(3)11(12)15)8-6-4-5-7-9(8)13/h4-7,10H,1-3H3
InChIKeyZLLSMRUTRQCBKB-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one (CID 23176760) is 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one is CN1OC(c2ccccc2Cl)C(C)(C)C1=O.
What is the InChIKey of 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one?
The InChIKey is ZLLSMRUTRQCBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(2)10(16-14(3)11(12)15)8-6-4-5-7-9(8)13/h4-7,10H,1-3H3.
What are the key properties of 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one?
5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one has a molecular weight of 239.70 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 23176760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).