(3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one

C20H21NO3 — CID 10892656

IUPAC(3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one
SMILESC=C[C@@H](OCc1ccccc1)[C@@H]1CC(=O)ON1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-2-19(23-15-17-11-7-4-8-12-17)18-13-20(22)24-21(18)14-16-9-5-3-6-10-16/h2-12,18-19H,1,13-15H2/t18-,19+/m0/s1
InChIKeyOLYCKTURAKRBRF-RBUKOAKNSA-N
MW323.39 g/mol
LogP3.49
Rot. Bonds7

About (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one

(3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one (PubChem CID 10892656) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one
PubChem CID10892656
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one
SMILESC=C[C@@H](OCc1ccccc1)[C@@H]1CC(=O)ON1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-2-19(23-15-17-11-7-4-8-12-17)18-13-20(22)24-21(18)14-16-9-5-3-6-10-16/h2-12,18-19H,1,13-15H2/t18-,19+/m0/s1
InChIKeyOLYCKTURAKRBRF-RBUKOAKNSA-N
XLogP3.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-2-methyl-3-phenylpyrrolidin-3-yl propanoate
CID 21149919
Ethyl 2-methyl-3,5-diphenyl-2,3-dihydro-4-isoxazolecarboxylate
CID 4999266
1-Methyl-2,3-diphenylpyrrolidin-3-yl propanoate
CID 21149891
(2R,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 10592150
Benzyl 1-benzylprolinate
CID 11781411
1-Benzyl 4-(tert-butyl) benzyl-L-aspartate
CID 16069553
1-Benzyl 4-(tert-Butyl) N-Benzyl-N-[2-(iodomethyl)allyl]-L-aspartate
CID 16069574
Benzyl N-Benzylpyrrolidine-3-carboxylate
CID 73553977
(4-fluorophenyl)methyl (2R)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 15679289
(4-Fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 23200477
benzyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylacetate
CID 66648533
Benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate
CID 66648534

Frequently Asked Questions

What is the IUPAC name of (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one?
The IUPAC name of (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one (CID 10892656) is (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one.
What is the SMILES notation for (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one?
The canonical SMILES for (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one is C=C[C@@H](OCc1ccccc1)[C@@H]1CC(=O)ON1Cc1ccccc1.
What is the InChIKey of (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one?
The InChIKey is OLYCKTURAKRBRF-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-19(23-15-17-11-7-4-8-12-17)18-13-20(22)24-21(18)14-16-9-5-3-6-10-16/h2-12,18-19H,1,13-15H2/t18-,19+/m0/s1.
What are the key properties of (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one?
(3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one has a molecular weight of 323.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-1,2-oxazolidin-5-one is sourced from PubChem (CID 10892656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).