ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one

C21H28FNO2 — CID 142959710

IUPACethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC.CC.O=C1OCCN1c1ccc(CCc2ccccc2)c(F)c1
InChIInChI=1S/C17H16FNO2.2C2H6/c18-16-12-15(19-10-11-21-17(19)20)9-8-14(16)7-6-13-4-2-1-3-5-13;2*1-2/h1-5,8-9,12H,6-7,10-11H2;2*1-2H3
InChIKeyPAZXNWSRNDCIMH-UHFFFAOYSA-N
MW345.46 g/mol
LogP5.62
Rot. Bonds4

About ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one

ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 142959710) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID142959710
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC Nameethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC.CC.O=C1OCCN1c1ccc(CCc2ccccc2)c(F)c1
InChIInChI=1S/C17H16FNO2.2C2H6/c18-16-12-15(19-10-11-21-17(19)20)9-8-14(16)7-6-13-4-2-1-3-5-13;2*1-2/h1-5,8-9,12H,6-7,10-11H2;2*1-2H3
InChIKeyPAZXNWSRNDCIMH-UHFFFAOYSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-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

Related Compounds

ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 71940501
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one
CID 56941756
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 46912465
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one (CID 142959710) is ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one is CC.CC.O=C1OCCN1c1ccc(CCc2ccccc2)c(F)c1.
What is the InChIKey of ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PAZXNWSRNDCIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2.2C2H6/c18-16-12-15(19-10-11-21-17(19)20)9-8-14(16)7-6-13-4-2-1-3-5-13;2*1-2/h1-5,8-9,12H,6-7,10-11H2;2*1-2H3.
What are the key properties of ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one?
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 345.46 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142959710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).