3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one

C10H10ClNO3 — CID 140971353

IUPAC3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1COc1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO3/c11-8-2-1-3-9(6-8)15-7-12-4-5-14-10(12)13/h1-3,6H,4-5,7H2
InChIKeyOBWYKKPIBLCZKE-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.13
Rot. Bonds3

About 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one

3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 140971353) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID140971353
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1COc1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO3/c11-8-2-1-3-9(6-8)15-7-12-4-5-14-10(12)13/h1-3,6H,4-5,7H2
InChIKeyOBWYKKPIBLCZKE-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one (CID 140971353) is 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one is O=C1OCCN1COc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is OBWYKKPIBLCZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-8-2-1-3-9(6-8)15-7-12-4-5-14-10(12)13/h1-3,6H,4-5,7H2.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one?
3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 227.65 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 140971353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).