2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one

C14H14ClFN2O2 — CID 141283135

IUPAC2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1ccon1[C@@H]1CCN[C@@H](c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H14ClFN2O2/c15-12-7-9(16)1-2-11(12)13-8-10(3-5-17-13)18-14(19)4-6-20-18/h1-2,4,6-7,10,13,17H,3,5,8H2/t10-,13-/m1/s1
InChIKeyKAFKNZZMDCWSIL-ZWNOBZJWSA-N
MW296.73 g/mol
LogP2.90
Rot. Bonds2

About 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one

2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 141283135) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID141283135
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1ccon1[C@@H]1CCN[C@@H](c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H14ClFN2O2/c15-12-7-9(16)1-2-11(12)13-8-10(3-5-17-13)18-14(19)4-6-20-18/h1-2,4,6-7,10,13,17H,3,5,8H2/t10-,13-/m1/s1
InChIKeyKAFKNZZMDCWSIL-ZWNOBZJWSA-N
XLogP2.90
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
CID 175272378
dimethyl 2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylate;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 162092676
2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylic acid;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 66731695
3-(2-chloro-4-fluorophenyl)-1-cycloheptyl-4-cyclooctylpiperazine-2,5-dione
CID 5083953
2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
2-(2,4-dichlorophenyl)piperidine-4-carbonitrile
CID 170903904
(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 122576815
(4R)-4-(2-chloro-4-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186570

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 141283135) is 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one is O=c1ccon1[C@@H]1CCN[C@@H](c2ccc(F)cc2Cl)C1.
What is the InChIKey of 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is KAFKNZZMDCWSIL-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-12-7-9(16)1-2-11(12)13-8-10(3-5-17-13)18-14(19)4-6-20-18/h1-2,4,6-7,10,13,17H,3,5,8H2/t10-,13-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 296.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 141283135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).