4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one

C12H14ClNO3 — CID 68729458

IUPAC4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one
SMILESCOCCN1C(=O)OCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-16-7-6-14-11(8-17-12(14)15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyLZUBNNLLGAABCM-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.48
Rot. Bonds4

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

4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one (PubChem CID 68729458) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one
PubChem CID68729458
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one
SMILESCOCCN1C(=O)OCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-16-7-6-14-11(8-17-12(14)15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyLZUBNNLLGAABCM-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one (CID 68729458) is 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one is COCCN1C(=O)OCC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is LZUBNNLLGAABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-16-7-6-14-11(8-17-12(14)15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one?
4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 255.70 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68729458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).