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

C25H34N2O4 — CID 69371283

IUPAC[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC[C@H](CCN1CCCC1)Cc1ccon1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H34N2O4/c28-24(25(29,22-10-4-5-11-22)21-8-2-1-3-9-21)30-19-20(18-23-13-17-31-26-23)12-16-27-14-6-7-15-27/h1-3,8-9,13,17,20,22,29H,4-7,10-12,14-16,18-19H2/t20-,25?/m1/s1
InChIKeyODPATBRJRPUIJM-VGOKPJQXSA-N
MW426.56 g/mol
LogP3.94
Rot. Bonds10

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

[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 69371283) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID69371283
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC[C@H](CCN1CCCC1)Cc1ccon1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H34N2O4/c28-24(25(29,22-10-4-5-11-22)21-8-2-1-3-9-21)30-19-20(18-23-13-17-31-26-23)12-16-27-14-6-7-15-27/h1-3,8-9,13,17,20,22,29H,4-7,10-12,14-16,18-19H2/t20-,25?/m1/s1
InChIKeyODPATBRJRPUIJM-VGOKPJQXSA-N
XLogP3.94
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-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-hydroxy-2,2-diphenylacetate
CID 69369416
[(1R)-1-(1,2-oxazol-3-yl)-4-piperidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 69370161
[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
[(3R)-3-pyridin-3-yl-4-pyrrolidin-1-ylbutyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69369324
[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11553376
[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 11597081
[(1S,5R)-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 16718162
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
[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
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 69371283) is [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate is O=C(OC[C@H](CCN1CCCC1)Cc1ccon1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is ODPATBRJRPUIJM-VGOKPJQXSA-N. The full InChI is InChI=1S/C25H34N2O4/c28-24(25(29,22-10-4-5-11-22)21-8-2-1-3-9-21)30-19-20(18-23-13-17-31-26-23)12-16-27-14-6-7-15-27/h1-3,8-9,13,17,20,22,29H,4-7,10-12,14-16,18-19H2/t20-,25?/m1/s1.
What are the key properties of [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate?
[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 426.56 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 69371283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).