(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one

C19H19IN2O5 — CID 70208277

IUPAC(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccccc1.O=C1O[C@@H](CO)CN1c1ccc(I)cc1
InChIInChI=1S/C10H10INO3.C9H9NO2/c11-7-1-3-8(4-2-7)12-5-9(6-13)15-10(12)14;11-9-10(6-7-12-9)8-4-2-1-3-5-8/h1-4,9,13H,5-6H2;1-5H,6-7H2/t9-;/m1./s1
InChIKeyHRQWRMJLVNDPDA-SBSPUUFOSA-N
MW482.27 g/mol
LogP3.25
Rot. Bonds3

About (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one (PubChem CID 70208277) has the molecular formula C19H19IN2O5 and a molecular weight of 482.27 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one
PubChem CID70208277
Molecular FormulaC19H19IN2O5
Molecular Weight482.27 g/mol
Exact Mass482.03
IUPAC Name(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccccc1.O=C1O[C@@H](CO)CN1c1ccc(I)cc1
InChIInChI=1S/C10H10INO3.C9H9NO2/c11-7-1-3-8(4-2-7)12-5-9(6-13)15-10(12)14;11-9-10(6-7-12-9)8-4-2-1-3-5-8/h1-4,9,13H,5-6H2;1-5H,6-7H2/t9-;/m1./s1
InChIKeyHRQWRMJLVNDPDA-SBSPUUFOSA-N
XLogP3.25
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 117063703
(5S)-3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10267740
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
5-(hydroxymethyl)-3-(4-phenylphenyl)-1,3-oxazolidin-2-one;4-methylbenzenesulfonic acid
CID 19788088
1-methyl-3-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiourea
CID 10291524
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one (CID 70208277) is (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one is O=C1OCCN1c1ccccc1.O=C1O[C@@H](CO)CN1c1ccc(I)cc1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HRQWRMJLVNDPDA-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10INO3.C9H9NO2/c11-7-1-3-8(4-2-7)12-5-9(6-13)15-10(12)14;11-9-10(6-7-12-9)8-4-2-1-3-5-8/h1-4,9,13H,5-6H2;1-5H,6-7H2/t9-;/m1./s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 482.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70208277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).