5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one

C15H14FNO2S — CID 141482633

IUPAC5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(F)(Cc2ccccc2)CN1Cc1ccsc1
InChIInChI=1S/C15H14FNO2S/c16-15(8-12-4-2-1-3-5-12)11-17(14(18)19-15)9-13-6-7-20-10-13/h1-7,10H,8-9,11H2
InChIKeyNDHDZNZKPPEJNR-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.61
Rot. Bonds4

About 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one

5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 141482633) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID141482633
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(F)(Cc2ccccc2)CN1Cc1ccsc1
InChIInChI=1S/C15H14FNO2S/c16-15(8-12-4-2-1-3-5-12)11-17(14(18)19-15)9-13-6-7-20-10-13/h1-7,10H,8-9,11H2
InChIKeyNDHDZNZKPPEJNR-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-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

(4R)-5-methylidene-4-[(E)-2-phenylethenyl]-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 178251657
(4S)-4-benzyl-3-[(E)-3-thiophen-3-ylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 9995714
4-benzyl-3-[(E)-3-thiophen-3-ylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 18423416
3-(3-Morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 22096700
3-[(4-Thiophen-3-ylphenyl)methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24985595
3-[(4-Thiophen-2-ylphenyl)methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24985764
3-[(3-Thiophen-3-ylphenyl)methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24985765
5-Benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one
CID 54507616
4-Benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 57216511
5-Phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 57459817
5-Benzyl-3-morpholin-4-yl-3-(1-thiophen-2-ylpropyl)-1,3-oxazolidin-3-ium-2-one
CID 88341708
(4S)-4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 90969355

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one (CID 141482633) is 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(F)(Cc2ccccc2)CN1Cc1ccsc1.
What is the InChIKey of 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is NDHDZNZKPPEJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-15(8-12-4-2-1-3-5-12)11-17(14(18)19-15)9-13-6-7-20-10-13/h1-7,10H,8-9,11H2.
What are the key properties of 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one?
5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141482633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).