acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one

C10H16N2O4 — CID 174656879

IUPACacetic acid;5-piperidin-4-yl-1,2-oxazol-3-one
SMILESCC(=O)O.O=c1cc(C2CCNCC2)o[nH]1
InChIInChI=1S/C8H12N2O2.C2H4O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6;1-2(3)4/h5-6,9H,1-4H2,(H,10,11);1H3,(H,3,4)
InChIKeyMHODXRQYBDQASV-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.53
Rot. Bonds1

About acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one

acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 174656879) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Nameacetic acid;5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID174656879
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameacetic acid;5-piperidin-4-yl-1,2-oxazol-3-one
SMILESCC(=O)O.O=c1cc(C2CCNCC2)o[nH]1
InChIInChI=1S/C8H12N2O2.C2H4O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6;1-2(3)4/h5-6,9H,1-4H2,(H,10,11);1H3,(H,3,4)
InChIKeyMHODXRQYBDQASV-UHFFFAOYSA-N
XLogP0.53
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl formate;5-piperidin-4-yl-1,2-oxazol-3-one
CID 174506032
acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
CID 174645063
5-cyclopentyl-1,2-oxazol-3-one
CID 45099074
acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174645018
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,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174722974
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
5-(azetidin-2-yl)-1,2-oxazol-3-one
CID 143295423
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
6-(3-oxo-1,2-oxazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 22401305

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one (CID 174656879) is acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one is CC(=O)O.O=c1cc(C2CCNCC2)o[nH]1.
What is the InChIKey of acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is MHODXRQYBDQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C2H4O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6;1-2(3)4/h5-6,9H,1-4H2,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one?
acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 228.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 174656879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).