5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane

C13H18ClNO2 — CID 158731739

IUPAC5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane
SMILESCC(C)C.O=C1NCC(c2ccccc2Cl)O1
InChIInChI=1S/C9H8ClNO2.C4H10/c10-7-4-2-1-3-6(7)8-5-11-9(12)13-8;1-4(2)3/h1-4,8H,5H2,(H,11,12);4H,1-3H3
InChIKeyILEISMWQVGHFNV-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.78
Rot. Bonds1

About 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane

5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane (PubChem CID 158731739) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane
PubChem CID158731739
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane
SMILESCC(C)C.O=C1NCC(c2ccccc2Cl)O1
InChIInChI=1S/C9H8ClNO2.C4H10/c10-7-4-2-1-3-6(7)8-5-11-9(12)13-8;1-4(2)3/h1-4,8H,5H2,(H,11,12);4H,1-3H3
InChIKeyILEISMWQVGHFNV-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane?
The IUPAC name of 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane (CID 158731739) is 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane?
The canonical SMILES for 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane is CC(C)C.O=C1NCC(c2ccccc2Cl)O1.
What is the InChIKey of 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane?
The InChIKey is ILEISMWQVGHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2.C4H10/c10-7-4-2-1-3-6(7)8-5-11-9(12)13-8;1-4(2)3/h1-4,8H,5H2,(H,11,12);4H,1-3H3.
What are the key properties of 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane?
5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane has a molecular weight of 255.75 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane is sourced from PubChem (CID 158731739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).