tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate

C14H18FNO3 — CID 129188867

IUPACtert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OCCC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-12(7-8-18-16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8H2,1-3H3
InChIKeyUFIFOGJVXCYUMU-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.44
Rot. Bonds1

About tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate

tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate (PubChem CID 129188867) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate
PubChem CID129188867
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OCCC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-12(7-8-18-16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8H2,1-3H3
InChIKeyUFIFOGJVXCYUMU-UHFFFAOYSA-N
XLogP3.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxamide
CID 169273771
2-[(2R,5S)-5-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-methylpropanoic acid
CID 138487799
tert-butyl (3S)-3-(3-cyano-5-fluoro-4-methylphenyl)-1,2-oxazolidine-2-carboxylate
CID 168823433
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
tert-butyl (2R)-4-deuterio-4-fluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 87111482
tert-butyl (2S,5R)-2-(3-fluorophenyl)-5-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 91368038
tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
CID 175447838
(3S,4S)-4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51441153
tert-butyl (2S)-2-[2-(3-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 90685358
tert-butyl (4R)-3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 154555062
tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate;(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine
CID 175877455
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate (CID 129188867) is tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1OCCC1c1cccc(F)c1.
What is the InChIKey of tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is UFIFOGJVXCYUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-12(7-8-18-16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate?
tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 129188867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).