5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C13H16FNO3 — CID 2725804

IUPAC5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccc(F)cc2)OC1=O
InChIInChI=1S/C13H16FNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyAIPJGNAYUHQTPX-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.43
Rot. Bonds4

About 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2725804) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2725804
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccc(F)cc2)OC1=O
InChIInChI=1S/C13H16FNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyAIPJGNAYUHQTPX-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isopropyl-2-(phenoxymethyl)morpholine
CID 12226582
3-Butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 536157
5-[(4-Bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725802
3-tert-Butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 550849
5-((4-Methoxyphenoxy)methyl)-2-oxazolidinone
CID 650874
(1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-6-one
CID 24901099
1-{2-[2-(4-Fluorophenoxy)ethoxy]ethyl}pyrrolidine
CID 1825295
5-[(2-Chlorophenoxy)methyl]-3-isopropyl-1,3-oxazolidin-2-one
CID 2725805
(S)-2-(3-Fluoro-phenoxymethyl)-1-methyl-pyrrolidine
CID 10262505
(R)-2-(3-Fluoro-phenoxymethyl)-1-methyl-pyrrolidine
CID 22857692
3-(3-Fluorophenoxy)-1-methylpyrrolidin-2-one
CID 64282982
5-[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]-3-(1-methylethyl)-2-oxazolidinone
CID 13273019

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2725804) is 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(COc2ccc(F)cc2)OC1=O.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is AIPJGNAYUHQTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 253.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2725804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).