(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C13H10FIN2O4 — CID 11859040

IUPAC(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](COc2ccon2)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C13H10FIN2O4/c14-10-5-8(1-2-11(10)15)17-6-9(21-13(17)18)7-19-12-3-4-20-16-12/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyRXFKLRWZERWUDW-SECBINFHSA-N
MW404.14 g/mol
LogP2.82
Rot. Bonds4

About (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11859040) has the molecular formula C13H10FIN2O4 and a molecular weight of 404.14 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID11859040
Molecular FormulaC13H10FIN2O4
Molecular Weight404.14 g/mol
Exact Mass403.97
IUPAC Name(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](COc2ccon2)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C13H10FIN2O4/c14-10-5-8(1-2-11(10)15)17-6-9(21-13(17)18)7-19-12-3-4-20-16-12/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyRXFKLRWZERWUDW-SECBINFHSA-N
XLogP2.82
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 22996047
(5R)-3-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57195364
2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
CID 70209131
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674
[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 141380839
[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57128428
(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356664
(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
CID 139995287
4-[4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-N-methyl-4-oxobutanamide
CID 142648239
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 11859040) is (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](COc2ccon2)CN1c1ccc(I)c(F)c1.
What is the InChIKey of (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is RXFKLRWZERWUDW-SECBINFHSA-N. The full InChI is InChI=1S/C13H10FIN2O4/c14-10-5-8(1-2-11(10)15)17-6-9(21-13(17)18)7-19-12-3-4-20-16-12/h1-5,9H,6-7H2/t9-/m1/s1.
What are the key properties of (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 404.14 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11859040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).