5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one

C14H15ClN2O2 — CID 66732573

IUPAC5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](c3ccc(Cl)cc3)C2)o[nH]1
InChIInChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-7-10(5-6-16-12)13-8-14(18)17-19-13/h1-4,8,10,12,16H,5-7H2,(H,17,18)/t10-,12-/m1/s1
InChIKeyHXFOYEDBEIMRCS-ZYHUDNBSSA-N
MW278.74 g/mol
LogP2.83
Rot. Bonds2

About 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one

5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732573) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732573
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](c3ccc(Cl)cc3)C2)o[nH]1
InChIInChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-7-10(5-6-16-12)13-8-14(18)17-19-13/h1-4,8,10,12,16H,5-7H2,(H,17,18)/t10-,12-/m1/s1
InChIKeyHXFOYEDBEIMRCS-ZYHUDNBSSA-N
XLogP2.83
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R,4R)-2-(4-chloro-3-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732362
5-[(2R,4R)-2-(4-methylsulfonylphenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66731817
acetic acid;5-[(2R,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174722974
acetic acid;5-[(2R,4S)-2-(4-chloro-3,5-difluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174656969
5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46937638
5-(azetidin-2-yl)-1,2-oxazol-3-one
CID 143295423
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732240
5-[(2S,4S)-2-(isoindol-2-ylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66978620
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732451
5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732687

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 66732573) is 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@@H]2CCN[C@@H](c3ccc(Cl)cc3)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is HXFOYEDBEIMRCS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-7-10(5-6-16-12)13-8-14(18)17-19-13/h1-4,8,10,12,16H,5-7H2,(H,17,18)/t10-,12-/m1/s1.
What are the key properties of 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 278.74 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).