(4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde

C25H29NO3 — CID 174587136

IUPAC(4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde
SMILESC[C@](C(=O)N1C(C=O)OC[C@H]1Cc1ccccc1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H29NO3/c1-25(21-14-8-9-15-21,20-12-6-3-7-13-20)24(28)26-22(18-29-23(26)17-27)16-19-10-4-2-5-11-19/h2-7,10-13,17,21-23H,8-9,14-16,18H2,1H3/t22-,23?,25+/m1/s1
InChIKeyQPVBZTGCMOINEZ-XOTJBQCQSA-N
MW391.51 g/mol
LogP4.13
Rot. Bonds6

About (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde

(4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174587136) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde
PubChem CID174587136
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde
SMILESC[C@](C(=O)N1C(C=O)OC[C@H]1Cc1ccccc1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H29NO3/c1-25(21-14-8-9-15-21,20-12-6-3-7-13-20)24(28)26-22(18-29-23(26)17-27)16-19-10-4-2-5-11-19/h2-7,10-13,17,21-23H,8-9,14-16,18H2,1H3/t22-,23?,25+/m1/s1
InChIKeyQPVBZTGCMOINEZ-XOTJBQCQSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(E)-5,5,5-trifluoropent-2-enoyl]-1,3-oxazolidine-2-carbaldehyde
CID 174484763
4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde
CID 174614064
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
(E)-1-[(2S,4S)-2,4-dibenzyl-1,3-oxazolidin-3-yl]but-2-en-1-one
CID 139054022
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-ol
CID 170024227
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
3-benzyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine
CID 86052848
methyl 2-benzylazepane-1-carboxylate
CID 102314657
tert-butyl 2-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-methyl-3-oxopropyl]piperidine-1-carboxylate
CID 102582673

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde (CID 174587136) is (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde is C[C@](C(=O)N1C(C=O)OC[C@H]1Cc1ccccc1)(c1ccccc1)C1CCCC1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is QPVBZTGCMOINEZ-XOTJBQCQSA-N. The full InChI is InChI=1S/C25H29NO3/c1-25(21-14-8-9-15-21,20-12-6-3-7-13-20)24(28)26-22(18-29-23(26)17-27)16-19-10-4-2-5-11-19/h2-7,10-13,17,21-23H,8-9,14-16,18H2,1H3/t22-,23?,25+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde?
(4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 391.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-cyclopentyl-2-phenylpropanoyl]-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174587136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).