(5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one

C12H14INO2 — CID 15920917

IUPAC(5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@H](CI)OC1=O
InChIInChI=1S/C12H14INO2/c1-9(10-5-3-2-4-6-10)14-8-11(7-13)16-12(14)15/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyZTXRVCVXMSRYEH-ONGXEEELSA-N
MW331.15 g/mol
LogP3.00
Rot. Bonds3

About (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one

(5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 15920917) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID15920917
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name(5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@H](CI)OC1=O
InChIInChI=1S/C12H14INO2/c1-9(10-5-3-2-4-6-10)14-8-11(7-13)16-12(14)15/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyZTXRVCVXMSRYEH-ONGXEEELSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Encyprate
CID 17298
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
Fenpipalone
CID 30822
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
(5R)-3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591812
3-Benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 689214
2-(Pyrrolidin-1-yl)ethyl hydrogen (1-phenylethyl)carbonimidate--hydrogen chloride (1/1)
CID 58040
2-Oxazolidinone, 3-benzyl-5-(2-propynyloxymethyl)-
CID 211831
Oxazolidine, 3-(1-phenylbutyl)-, hydrochloride
CID 3056418

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 15920917) is (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one is C[C@@H](c1ccccc1)N1C[C@H](CI)OC1=O.
What is the InChIKey of (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZTXRVCVXMSRYEH-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14INO2/c1-9(10-5-3-2-4-6-10)14-8-11(7-13)16-12(14)15/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one?
(5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 331.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(iodomethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15920917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).