(4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one

C33H47NO4 — CID 134845582

IUPAC(4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCC/C=C\[C@@H](OCc1ccccc1)[C@H](O)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C33H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31(37-26-29-22-17-14-18-23-29)32(35)30-27-38-33(36)34(30)25-28-20-15-13-16-21-28/h13-24,30-32,35H,2-12,25-27H2,1H3/b24-19-/t30-,31-,32-/m1/s1
InChIKeyVDTBNTONDYYBGG-UMJPHSRJSA-N
MW521.74 g/mol
LogP7.82
Rot. Bonds19

About (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one

(4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one (PubChem CID 134845582) has the molecular formula C33H47NO4 and a molecular weight of 521.74 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one
PubChem CID134845582
Molecular FormulaC33H47NO4
Molecular Weight521.74 g/mol
Exact Mass521.35
IUPAC Name(4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCC/C=C\[C@@H](OCc1ccccc1)[C@H](O)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C33H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31(37-26-29-22-17-14-18-23-29)32(35)30-27-38-33(36)34(30)25-28-20-15-13-16-21-28/h13-24,30-32,35H,2-12,25-27H2,1H3/b24-19-/t30-,31-,32-/m1/s1
InChIKeyVDTBNTONDYYBGG-UMJPHSRJSA-N
XLogP7.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.74
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-phenyl-3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-oxazolidin-2-one
CID 71713801
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
(4R)-4-phenyl-3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-oxazolidin-2-one
CID 71713802
(2R,3S)-3-[methyl(2-methylpropyl)amino]-3-(4-methylphenyl)-2-phenylmethoxypropan-1-ol
CID 44583552
(2r,3r,4r)-N-benzyloxylcarbonyl-2-benzyloxymethyl-4-fluoro-3-hydroxyl-pyrrolidine
CID 129713816
(2r,3r,4r)-N-benzyloxylcarbonyl-4-benzyloxy-2-fluoromethyl-3-hydroxyl-pyrrolidine
CID 129713817
(4S,5S)-3-benzyl-4-(hydroxymethyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 21608987
(4R,5S)-3-benzyl-4-(hydroxymethyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 21608988
2-Oxazolidinone, 5-phenyl-3-(phenylmethyl)-
CID 11368793
2-Phenyl-3-isopropyl-5-hydroxymethyloxazolidine
CID 12566198
benzyl N-[(2R,3S)-2-hydroxy-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 29938294
tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
CID 58420330

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one (CID 134845582) is (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one is CCCCCCCCCCCC/C=C\[C@@H](OCc1ccccc1)[C@H](O)[C@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one?
The InChIKey is VDTBNTONDYYBGG-UMJPHSRJSA-N. The full InChI is InChI=1S/C33H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31(37-26-29-22-17-14-18-23-29)32(35)30-27-38-33(36)34(30)25-28-20-15-13-16-21-28/h13-24,30-32,35H,2-12,25-27H2,1H3/b24-19-/t30-,31-,32-/m1/s1.
What are the key properties of (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one has a molecular weight of 521.74 g/mol, XLogP of 7.82, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(Z,1R,2R)-1-hydroxy-2-phenylmethoxyhexadec-3-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134845582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).