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

C15H24N2O3 — CID 66732687

IUPAC5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@H]2CCN[C@@H](COC3CCCCC3)C2)o[nH]1
InChIInChI=1S/C15H24N2O3/c18-15-9-14(20-17-15)11-6-7-16-12(8-11)10-19-13-4-2-1-3-5-13/h9,11-13,16H,1-8,10H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyNLVHSEHHKYHLSB-NWDGAFQWSA-N
MW280.37 g/mol
LogP2.15
Rot. Bonds4

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

5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732687) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732687
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@H]2CCN[C@@H](COC3CCCCC3)C2)o[nH]1
InChIInChI=1S/C15H24N2O3/c18-15-9-14(20-17-15)11-6-7-16-12(8-11)10-19-13-4-2-1-3-5-13/h9,11-13,16H,1-8,10H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyNLVHSEHHKYHLSB-NWDGAFQWSA-N
XLogP2.15
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938043
5-[(2S,4R)-2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 87129192
5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732451
5-[(2S,4S)-2-[(3,5-ditert-butylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732082
5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732240
5-cyclopentyl-1,2-oxazol-3-one
CID 45099074
acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
CID 174645063
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
acetic acid;5-[(2R,4S)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 175285078
acetic acid;5-[2-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 174656837

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 66732687) is 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@H]2CCN[C@@H](COC3CCCCC3)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is NLVHSEHHKYHLSB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-15-9-14(20-17-15)11-6-7-16-12(8-11)10-19-13-4-2-1-3-5-13/h9,11-13,16H,1-8,10H2,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 280.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).