5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one

C11H12INO2 — CID 175360935

IUPAC5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CI)OC2=O)c1
InChIInChI=1S/C11H12INO2/c1-8-3-2-4-9(5-8)13-7-10(6-12)15-11(13)14/h2-5,10H,6-7H2,1H3
InChIKeyBGBNMSUOVFHHBY-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.76
Rot. Bonds2

About 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one

5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 175360935) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID175360935
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CI)OC2=O)c1
InChIInChI=1S/C11H12INO2/c1-8-3-2-4-9(5-8)13-7-10(6-12)15-11(13)14/h2-5,10H,6-7H2,1H3
InChIKeyBGBNMSUOVFHHBY-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
3,4-dimethyl-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327775
1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327845
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40839197
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenoxyacetamide
CID 110327784
3,5-dimethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327773
5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 19911452
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940450
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
4-ethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 110327854
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 175360935) is 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(N2CC(CI)OC2=O)c1.
What is the InChIKey of 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is BGBNMSUOVFHHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c1-8-3-2-4-9(5-8)13-7-10(6-12)15-11(13)14/h2-5,10H,6-7H2,1H3.
What are the key properties of 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 317.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 175360935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).