5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid

C19H20FNO3 — CID 175021515

IUPAC5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid
SMILESCCCN1OC(c2ccccc2)(c2ccc(F)cc2)CC1C(=O)O
InChIInChI=1S/C19H20FNO3/c1-2-12-21-17(18(22)23)13-19(24-21,14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,2,12-13H2,1H3,(H,22,23)
InChIKeyOSIRHNCBGVHXEH-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.57
Rot. Bonds5

About 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid

5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid (PubChem CID 175021515) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid
PubChem CID175021515
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid
SMILESCCCN1OC(c2ccccc2)(c2ccc(F)cc2)CC1C(=O)O
InChIInChI=1S/C19H20FNO3/c1-2-12-21-17(18(22)23)13-19(24-21,14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,2,12-13H2,1H3,(H,22,23)
InChIKeyOSIRHNCBGVHXEH-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 20428591
(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 54241586
(2S,4R)-4-(4-fluorophenyl)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57843002
ditert-butyl (2S,4R)-4-(4-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 67176351
7-[(2R,3R)-3-(4-fluorophenyl)-3,5,5-trihydroxy-1-propan-2-ylpyrrolidin-2-yl]heptanoic acid
CID 67931369
7-[(2S,3R)-3-(4-fluorophenyl)-3,5,5-trihydroxy-1-propan-2-ylpyrrolidin-2-yl]heptanoic acid
CID 67931462
(2S,4R)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 96372881
(2S,4R)-4-(3,4-difluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 96386356
(2S,4R)-4-(3,4-difluorophenyl)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 139554174
Ethyl 5-(4-fluorophenyl)-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 140616349
1-[[4-(2-Fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 140678374
1-[[4-(4-Fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 140678375

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid (CID 175021515) is 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid is CCCN1OC(c2ccccc2)(c2ccc(F)cc2)CC1C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid?
The InChIKey is OSIRHNCBGVHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-12-21-17(18(22)23)13-19(24-21,14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,2,12-13H2,1H3,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid?
5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-phenyl-2-propyl-1,2-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 175021515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).