3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one

C11H18N2O2 — CID 58431143

IUPAC3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one
SMILESCC(C)N1CCC[C@@H](C2=NOC(=O)C2)C1
InChIInChI=1S/C11H18N2O2/c1-8(2)13-5-3-4-9(7-13)10-6-11(14)15-12-10/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyBQDCSQQJMDLJDI-SECBINFHSA-N
MW210.28 g/mol
LogP1.41
Rot. Bonds2

About 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one

3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one (PubChem CID 58431143) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one
PubChem CID58431143
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one
SMILESCC(C)N1CCC[C@@H](C2=NOC(=O)C2)C1
InChIInChI=1S/C11H18N2O2/c1-8(2)13-5-3-4-9(7-13)10-6-11(14)15-12-10/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyBQDCSQQJMDLJDI-SECBINFHSA-N
XLogP1.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-4H-1,2-oxazol-5-one
CID 45099073
(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
CID 25324115
4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 98053855
3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 43810970
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152608
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
CID 118284645
3-[5-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 124974115
2-(2-methylpyrazol-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110101538
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 124977703
3-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110096500

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one?
The IUPAC name of 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one (CID 58431143) is 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one is CC(C)N1CCC[C@@H](C2=NOC(=O)C2)C1.
What is the InChIKey of 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one?
The InChIKey is BQDCSQQJMDLJDI-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)13-5-3-4-9(7-13)10-6-11(14)15-12-10/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one?
3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one is sourced from PubChem (CID 58431143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).