(3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine

C11H14INO — CID 11141200

IUPAC(3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCN1O[C@H](CI)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H14INO/c1-13-11(7-10(8-12)14-13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyGLUREVKQMHSVBV-WDEREUQCSA-N
MW303.14 g/mol
LogP2.80
Rot. Bonds2

About (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine

(3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine (PubChem CID 11141200) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
PubChem CID11141200
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCN1O[C@H](CI)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H14INO/c1-13-11(7-10(8-12)14-13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyGLUREVKQMHSVBV-WDEREUQCSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.80
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

(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methanol
CID 6933895
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol
CID 10776132
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine (CID 11141200) is (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine is CN1O[C@H](CI)C[C@@H]1c1ccccc1.
What is the InChIKey of (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The InChIKey is GLUREVKQMHSVBV-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14INO/c1-13-11(7-10(8-12)14-13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
(3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine has a molecular weight of 303.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 11141200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).