4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one

C10H11IN2O2 — CID 19358405

IUPAC4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(CC2COC(=O)N2)cc1I
InChIInChI=1S/C10H11IN2O2/c11-8-4-6(1-2-9(8)12)3-7-5-15-10(14)13-7/h1-2,4,7H,3,5,12H2,(H,13,14)
InChIKeySJVUXDATXXXNQY-UHFFFAOYSA-N
MW318.11 g/mol
LogP1.52
Rot. Bonds2

About 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one

4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 19358405) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID19358405
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC Name4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(CC2COC(=O)N2)cc1I
InChIInChI=1S/C10H11IN2O2/c11-8-4-6(1-2-9(8)12)3-7-5-15-10(14)13-7/h1-2,4,7H,3,5,12H2,(H,13,14)
InChIKeySJVUXDATXXXNQY-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
CID 175523266
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
2-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzenesulfonamide
CID 11323624
4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70268262
4-[[3-(3-aminocyclobutyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18691541
4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 18338957
2,2-dimethyl-5-[[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168536771
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methyl]-1,3-oxazolidin-2-one
CID 169444200
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one (CID 19358405) is 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one is Nc1ccc(CC2COC(=O)N2)cc1I.
What is the InChIKey of 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is SJVUXDATXXXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2/c11-8-4-6(1-2-9(8)12)3-7-5-15-10(14)13-7/h1-2,4,7H,3,5,12H2,(H,13,14).
What are the key properties of 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one?
4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 318.11 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19358405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).