methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate

C11H12FNO3 — CID 142930063

IUPACmethyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(c2ccc(F)cc2)N1
InChIInChI=1S/C11H12FNO3/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-5,9-10,13H,6H2,1H3
InChIKeyUNDMJGPLVOIPEF-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.99
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate

methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 142930063) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate
PubChem CID142930063
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(c2ccc(F)cc2)N1
InChIInChI=1S/C11H12FNO3/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-5,9-10,13H,6H2,1H3
InChIKeyUNDMJGPLVOIPEF-UHFFFAOYSA-N
XLogP0.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Proline benzyl ester
CID 99767
Benzyl L-prolinate
CID 736155
(4S)-4-[(Benzyloxy)methyl]-1,3-oxazolidine-2,5-dione
CID 71361145
Oxazolidine, 2-methyl-2-phenyl-
CID 278954
4,4-Dimethyl-2-phenyl-1,3-oxazolidine
CID 589827
methyl (2R)-2-[[4-(methoxymethyl)phenyl]methylamino]propanoate
CID 97054901
Methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
CID 169422824
ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
CID 53248435
methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
CID 102287563
Ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
CID 134859164
Fluorophenyloxazolidine
CID 153639051
benzyl (2R)-pyrrolidine-2-carboxylate
CID 736154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate (CID 142930063) is methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(c2ccc(F)cc2)N1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is UNDMJGPLVOIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-5,9-10,13H,6H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 142930063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).