3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C13H16INO2 — CID 86025189

IUPAC3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1c1ccc(I)cc1
InChIInChI=1S/C13H16INO2/c1-9(2)7-12-8-17-13(16)15(12)11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyNDXOGVWNBUKLFQ-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.66
Rot. Bonds3

About 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one

3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 86025189) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID86025189
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC Name3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1c1ccc(I)cc1
InChIInChI=1S/C13H16INO2/c1-9(2)7-12-8-17-13(16)15(12)11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyNDXOGVWNBUKLFQ-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 89489980
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 68904588
3-iodo-4-(2-methylpropyl)-1,3-oxazolidine-2-thione
CID 163705826
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448
4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 102099888
3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one
CID 174286957
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
(4S)-4-benzyl-3-(4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 140783510
(4R)-4-(azidomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
CID 90919593
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 86025189) is 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CC1COC(=O)N1c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is NDXOGVWNBUKLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c1-9(2)7-12-8-17-13(16)15(12)11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 345.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86025189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).