4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one

C13H17NO2 — CID 22147748

IUPAC4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(C2NCCO2)cc1
InChIInChI=1S/C13H17NO2/c1-10(15)2-3-11-4-6-12(7-5-11)13-14-8-9-16-13/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyHTFCPUSOJANFNC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.83
Rot. Bonds4

About 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one

4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one (PubChem CID 22147748) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one
PubChem CID22147748
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(C2NCCO2)cc1
InChIInChI=1S/C13H17NO2/c1-10(15)2-3-11-4-6-12(7-5-11)13-14-8-9-16-13/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyHTFCPUSOJANFNC-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one?
The IUPAC name of 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one (CID 22147748) is 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one.
What is the SMILES notation for 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one?
The canonical SMILES for 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one is CC(=O)CCc1ccc(C2NCCO2)cc1.
What is the InChIKey of 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one?
The InChIKey is HTFCPUSOJANFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)2-3-11-4-6-12(7-5-11)13-14-8-9-16-13/h4-7,13-14H,2-3,8-9H2,1H3.
What are the key properties of 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one?
4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one is sourced from PubChem (CID 22147748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).