(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one

C15H18INO2 — CID 135027570

IUPAC(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@H](C)[C@@H]1OC(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C15H18INO2/c1-10(8-11(2)16)14-13(17-15(18)19-14)9-12-6-4-3-5-7-12/h3-8,10,13-14H,9H2,1-2H3,(H,17,18)/b11-8+/t10-,13-,14-/m0/s1
InChIKeyGINDTQAMACDWGG-XKMHKDLLSA-N
MW371.22 g/mol
LogP3.68
Rot. Bonds4

About (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one

(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 135027570) has the molecular formula C15H18INO2 and a molecular weight of 371.22 g/mol. Its IUPAC name is (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID135027570
Molecular FormulaC15H18INO2
Molecular Weight371.22 g/mol
Exact Mass371.04
IUPAC Name(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@H](C)[C@@H]1OC(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C15H18INO2/c1-10(8-11(2)16)14-13(17-15(18)19-14)9-12-6-4-3-5-7-12/h3-8,10,13-14H,9H2,1-2H3,(H,17,18)/b11-8+/t10-,13-,14-/m0/s1
InChIKeyGINDTQAMACDWGG-XKMHKDLLSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 135043486
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
CID 67959001
(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboperoxoic acid
CID 59131647
(4S,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 158691447
(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10587635
tert-butyl N-[(2R)-1-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-phenylpropan-2-yl]carbamate
CID 66874693
(4R,5R)-4-benzyl-5-[2-iodo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 66716628
4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
CID 22088981

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one (CID 135027570) is (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one is C/C(I)=C\[C@H](C)[C@@H]1OC(=O)N[C@H]1Cc1ccccc1.
What is the InChIKey of (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is GINDTQAMACDWGG-XKMHKDLLSA-N. The full InChI is InChI=1S/C15H18INO2/c1-10(8-11(2)16)14-13(17-15(18)19-14)9-12-6-4-3-5-7-12/h3-8,10,13-14H,9H2,1-2H3,(H,17,18)/b11-8+/t10-,13-,14-/m0/s1.
What are the key properties of (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 371.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135027570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).