methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C12H12FIN2O4 — CID 58610310

IUPACmethyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1
InChIInChI=1S/C12H12FIN2O4/c1-19-11(17)15-5-8-6-16(12(18)20-8)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyIDWDWXCUUURMJL-QMMMGPOBSA-N
MW394.14 g/mol
LogP2.11
Rot. Bonds3

About methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 58610310) has the molecular formula C12H12FIN2O4 and a molecular weight of 394.14 g/mol. Its IUPAC name is methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID58610310
Molecular FormulaC12H12FIN2O4
Molecular Weight394.14 g/mol
Exact Mass393.98
IUPAC Namemethyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1
InChIInChI=1S/C12H12FIN2O4/c1-19-11(17)15-5-8-6-16(12(18)20-8)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyIDWDWXCUUURMJL-QMMMGPOBSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 70810531
2,2-difluoro-N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59488886
2,2-difluoro-N-[[3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66884287
methyl N-[[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 126494437
methyl N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 91487728
[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
methyl N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxo-3λ4-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 140880981
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
N-[[(5S)-3-(4-iodo-3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57270308
methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 23529051
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 58610310) is methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is IDWDWXCUUURMJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12FIN2O4/c1-19-11(17)15-5-8-6-16(12(18)20-8)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 394.14 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 58610310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).