acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one

C16H26N2O4 — CID 174645063

IUPACacetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
SMILESCC(=O)O.O=c1cc([C@H]2CCN[C@@H](C3CCCCC3)C2)o[nH]1
InChIInChI=1S/C14H22N2O2.C2H4O2/c17-14-9-13(18-16-14)11-6-7-15-12(8-11)10-4-2-1-3-5-10;1-2(3)4/h9-12,15H,1-8H2,(H,16,17);1H3,(H,3,4)/t11-,12+;/m0./s1
InChIKeyDEJZACQEPXDCCT-ZVWHLABXSA-N
MW310.39 g/mol
LogP2.47
Rot. Bonds2

About acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one

acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 174645063) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Nameacetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
PubChem CID174645063
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameacetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
SMILESCC(=O)O.O=c1cc([C@H]2CCN[C@@H](C3CCCCC3)C2)o[nH]1
InChIInChI=1S/C14H22N2O2.C2H4O2/c17-14-9-13(18-16-14)11-6-7-15-12(8-11)10-4-2-1-3-5-10;1-2(3)4/h9-12,15H,1-8H2,(H,16,17);1H3,(H,3,4)/t11-,12+;/m0./s1
InChIKeyDEJZACQEPXDCCT-ZVWHLABXSA-N
XLogP2.47
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one
CID 174656879
acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174645018
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
acetic acid;5-[(2R,4S)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 175285078
5-cyclopentyl-1,2-oxazol-3-one
CID 45099074
acetic acid;5-[2-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 174656837
5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732687
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
6-(3-oxo-1,2-oxazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 22401305
5-(azetidin-2-yl)-1,2-oxazol-3-one
CID 143295423

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one (CID 174645063) is acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one is CC(=O)O.O=c1cc([C@H]2CCN[C@@H](C3CCCCC3)C2)o[nH]1.
What is the InChIKey of acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is DEJZACQEPXDCCT-ZVWHLABXSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H4O2/c17-14-9-13(18-16-14)11-6-7-15-12(8-11)10-4-2-1-3-5-10;1-2(3)4/h9-12,15H,1-8H2,(H,16,17);1H3,(H,3,4)/t11-,12+;/m0./s1.
What are the key properties of acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one?
acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 310.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 174645063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).