(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one

C10H8FIN4O2 — CID 90919593

IUPAC(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1COC(=O)N1c1ccc(I)c(F)c1
InChIInChI=1S/C10H8FIN4O2/c11-8-3-6(1-2-9(8)12)16-7(4-14-15-13)5-18-10(16)17/h1-3,7H,4-5H2/t7-/m1/s1
InChIKeyMRTBHNRHIPHVBV-SSDOTTSWSA-N
MW362.10 g/mol
LogP3.07
Rot. Bonds3

About (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one

(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one (PubChem CID 90919593) has the molecular formula C10H8FIN4O2 and a molecular weight of 362.10 g/mol. Its IUPAC name is (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
PubChem CID90919593
Molecular FormulaC10H8FIN4O2
Molecular Weight362.10 g/mol
Exact Mass361.97
IUPAC Name(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1COC(=O)N1c1ccc(I)c(F)c1
InChIInChI=1S/C10H8FIN4O2/c11-8-3-6(1-2-9(8)12)16-7(4-14-15-13)5-18-10(16)17/h1-3,7H,4-5H2/t7-/m1/s1
InChIKeyMRTBHNRHIPHVBV-SSDOTTSWSA-N
XLogP3.07
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(azidomethyl)-3-(3-fluoro-4-tritylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 22977321
2-[(1S,5R)-3-[4-[(4R)-4-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanenitrile
CID 91259488
1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile
CID 67550411
3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 86025189
[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 141380839
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
N-[[(4S)-3-[3-fluoro-4-(4-nitrosopiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54525233
(2,3,4,5,6-pentafluorophenyl) 4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate
CID 22966216
(4R)-3-(4-fluoro-3-hydroxyphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58393515
5-(azidomethyl)-3-[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 139776509
N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54226334
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
CID 53344302

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one (CID 90919593) is (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@@H]1COC(=O)N1c1ccc(I)c(F)c1.
What is the InChIKey of (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
The InChIKey is MRTBHNRHIPHVBV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8FIN4O2/c11-8-3-6(1-2-9(8)12)16-7(4-14-15-13)5-18-10(16)17/h1-3,7H,4-5H2/t7-/m1/s1.
What are the key properties of (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one has a molecular weight of 362.10 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90919593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).