[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate

C25H34N2O4 — CID 69370161

IUPAC[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(O[C@H](CCCN1CCCCC1)c1ccon1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H34N2O4/c28-24(25(29,21-12-5-6-13-21)20-10-3-1-4-11-20)31-23(22-15-19-30-26-22)14-9-18-27-16-7-2-8-17-27/h1,3-4,10-11,15,19,21,23,29H,2,5-9,12-14,16-18H2/t23-,25?/m1/s1
InChIKeyLQNBODHNQFYJOK-XQZUBTRRSA-N
MW426.56 g/mol
LogP4.60
Rot. Bonds9

About [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate

[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 69370161) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID69370161
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(O[C@H](CCCN1CCCCC1)c1ccon1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H34N2O4/c28-24(25(29,21-12-5-6-13-21)20-10-3-1-4-11-20)31-23(22-15-19-30-26-22)14-9-18-27-16-7-2-8-17-27/h1,3-4,10-11,15,19,21,23,29H,2,5-9,12-14,16-18H2/t23-,25?/m1/s1
InChIKeyLQNBODHNQFYJOK-XQZUBTRRSA-N
XLogP4.60
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 69371283
[(3R)-1-[2-amino-1-(1,2-oxazol-3-yl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 87456809
[1-(1,2-oxazol-3-ylamino)-1-oxo-3-piperidin-4-ylpropan-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrobromide
CID 173163830
[(3R)-3-pyridin-3-yl-4-pyrrolidin-1-ylbutyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69369324
(1-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 138396684
[3-(pyrrolidin-1-ylmethyl)phenyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70594500
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357
[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 11597081
[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-hydroxy-2,2-diphenylacetate
CID 69369416
1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10247985
2-cyclopentyl-2-hydroxy-2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 122664443

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 69370161) is [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate is O=C(O[C@H](CCCN1CCCCC1)c1ccon1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is LQNBODHNQFYJOK-XQZUBTRRSA-N. The full InChI is InChI=1S/C25H34N2O4/c28-24(25(29,21-12-5-6-13-21)20-10-3-1-4-11-20)31-23(22-15-19-30-26-22)14-9-18-27-16-7-2-8-17-27/h1,3-4,10-11,15,19,21,23,29H,2,5-9,12-14,16-18H2/t23-,25?/m1/s1.
What are the key properties of [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 426.56 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 69370161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).