methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate

C16H17FN2O4 — CID 66731747

IUPACmethyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4/c1-22-16(21)19-7-6-11(14-9-15(20)18-23-14)8-13(19)10-2-4-12(17)5-3-10/h2-5,9,11,13H,6-8H2,1H3,(H,18,20)
InChIKeyLFXVZNKKVLXSAR-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.79
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate

methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate (PubChem CID 66731747) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
PubChem CID66731747
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Namemethyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4/c1-22-16(21)19-7-6-11(14-9-15(20)18-23-14)8-13(19)10-2-4-12(17)5-3-10/h2-5,9,11,13H,6-8H2,1H3,(H,18,20)
InChIKeyLFXVZNKKVLXSAR-UHFFFAOYSA-N
XLogP2.79
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((2R,4S)-2-(4-fluorobenzyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937701
5-((2R,4S)-2-(3-fluorobenzyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 66732202
5-((2R,4S)-2-(2-fluorobenzyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937704
5-((2R,4S)-2-(3,4,5-trifluorophenyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937477
5-((2S,4R)-2-(3,4,5-trifluorophenyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937478
5-[(2S,4S)-2-(3,4,5-trifluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46937479
5-((2R,4S)-2-(2,4,5-trifluorophenyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937480
5-((2S,4S)-2-(2,4,5-trifluorophenyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937481
5-((2R,4S)-2-(2-fluoro-4-(trifluoromethyl)phenyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937531
5-[(2S,4S)-2-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 46937581
5-((2R,4S)-2-(3-fluoro-4-(trifluoromethyl)phenyl)-piperidin-4-yl)isoxazol-3(2H)-one
CID 46937582
5-((2S,4R)-2-(3-fluoro-4-(trifluoromethyl)phenyl)-piperidin-4-yl)isoxazol-3(2H)-one
CID 46937583

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate (CID 66731747) is methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate is COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The InChIKey is LFXVZNKKVLXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-22-16(21)19-7-6-11(14-9-15(20)18-23-14)8-13(19)10-2-4-12(17)5-3-10/h2-5,9,11,13H,6-8H2,1H3,(H,18,20).
What are the key properties of methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
methyl 2-(4-fluorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate has a molecular weight of 320.32 g/mol, XLogP of 2.79, 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)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66731747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).