5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C13H16ClNO3 — CID 2725805

IUPAC5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccccc2Cl)OC1=O
InChIInChI=1S/C13H16ClNO3/c1-9(2)15-7-10(18-13(15)16)8-17-12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVOCJQKCODJTPII-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.95
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2725805) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2725805
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccccc2Cl)OC1=O
InChIInChI=1S/C13H16ClNO3/c1-9(2)15-7-10(18-13(15)16)8-17-12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVOCJQKCODJTPII-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-Chlorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 328968
5-[(2,4-Dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725803
3-Butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 536157
3-tert-Butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 550849
1-(Diethylamino)-1-oxopropan-2-yl (2,4-dichlorophenoxy)acetate
CID 2908421
2-(2-Chlorophenoxy)-1-(2,6-dimethylmorpholino)ethanone
CID 2961708
3-Isopropyl-5-(phenoxymethyl)-2-oxazolidinone
CID 534452
1-[(2-Chlorophenoxy)acetyl]pyrrolidine
CID 883837
5-[(4-Fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725804
1-[2-(2-Chlorophenoxy)ethyl]pyrrolidine
CID 784751
1-[3-(2-Chlorophenoxy)propyl]pyrrolidine
CID 2057826
(2-chlorophenyl) Pyrrolidine-1-carboxylate
CID 86433

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2725805) is 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(COc2ccccc2Cl)OC1=O.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VOCJQKCODJTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9(2)15-7-10(18-13(15)16)8-17-12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 269.73 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2725805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).