3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one

C14H19NO3 — CID 536157

IUPAC3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCN1CC(COc2ccccc2)OC1=O
InChIInChI=1S/C14H19NO3/c1-2-3-9-15-10-13(18-14(15)16)11-17-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyCUUAATUGSCNRFP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.69
Rot. Bonds6

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

3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 536157) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
PubChem CID536157
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCN1CC(COc2ccccc2)OC1=O
InChIInChI=1S/C14H19NO3/c1-2-3-9-15-10-13(18-14(15)16)11-17-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyCUUAATUGSCNRFP-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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5-[(4-Bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725802
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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one (CID 536157) is 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one is CCCCN1CC(COc2ccccc2)OC1=O.
What is the InChIKey of 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is CUUAATUGSCNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-9-15-10-13(18-14(15)16)11-17-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 536157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).