3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one

C22H22FNO5 — CID 24758445

IUPAC3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCO1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C22H22FNO5/c23-18-10-8-17(9-11-18)22(28-13-14-29-22)12-4-7-20(25)24-19(15-27-21(24)26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2
InChIKeyGXIZXZMGONPTAB-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.92
Rot. Bonds6

About 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 24758445) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID24758445
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC Name3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCO1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C22H22FNO5/c23-18-10-8-17(9-11-18)22(28-13-14-29-22)12-4-7-20(25)24-19(15-27-21(24)26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2
InChIKeyGXIZXZMGONPTAB-UHFFFAOYSA-N
XLogP3.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-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

(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 29980403
(4S,5R)-3-((2R,3R)-2,3-Dimethyl-hexanoyl)-4,5-diphenyl-oxazolidin-2-one
CID 25232465
(4S)-3-[(2R,3S)-2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 396645
Benzyl 4-(4-fluorophenyl)-2,5-dioxooxazolidine-3-carboxylate
CID 11438888
(4S)-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11964676
3-[5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone
CID 12111617
3-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one
CID 12111618
Benzyl 7-[2-(4-fluorophenyl)acetyl]-1,4-dioxa-7,8-diazaspiro[4.4]nonane-8-carboxylate
CID 12970197
(R)-3-((S)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 24812037
(S)-3-{4-[2-(4-fluorophenyl)-[1,3]-dioxolan-2-yl]butyryl}-4-phenyloxazolidin-2-one
CID 24983530
(S)-3-(4-(2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxan-2-yl)butanoyl)-4-phenyloxazolidin-2-one
CID 25112456

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 24758445) is 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCCC1(c2ccc(F)cc2)OCCO1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GXIZXZMGONPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO5/c23-18-10-8-17(9-11-18)22(28-13-14-29-22)12-4-7-20(25)24-19(15-27-21(24)26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2.
What are the key properties of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 399.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24758445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).