5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

C13H17NO3 — CID 534452

IUPAC5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccccc2)OC1=O
InChIInChI=1S/C13H17NO3/c1-10(2)14-8-12(17-13(14)15)9-16-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyMXVRQYRDTPBYJX-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.29
Rot. Bonds4

About 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 534452) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID534452
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccccc2)OC1=O
InChIInChI=1S/C13H17NO3/c1-10(2)14-8-12(17-13(14)15)9-16-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyMXVRQYRDTPBYJX-UHFFFAOYSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(S)-1-Methyl-2-phenoxymethyl-pyrrolidine
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5-[(4-Bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 534452) is 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(COc2ccccc2)OC1=O.
What is the InChIKey of 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MXVRQYRDTPBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(2)14-8-12(17-13(14)15)9-16-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 534452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).