(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine

C12H16INO — CID 10686939

IUPAC(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
SMILESC[C@@H]1[C@H](CI)ON(C)[C@H]1c1ccccc1
InChIInChI=1S/C12H16INO/c1-9-11(8-13)15-14(2)12(9)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t9-,11+,12-/m1/s1
InChIKeyDCGDSZNXGKWRHZ-ADEWGFFLSA-N
MW317.17 g/mol
LogP3.04
Rot. Bonds2

About (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine

(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine (PubChem CID 10686939) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
PubChem CID10686939
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
SMILESC[C@@H]1[C@H](CI)ON(C)[C@H]1c1ccccc1
InChIInChI=1S/C12H16INO/c1-9-11(8-13)15-14(2)12(9)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t9-,11+,12-/m1/s1
InChIKeyDCGDSZNXGKWRHZ-ADEWGFFLSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.04
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'}

Analyze (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidine-4-carbonitrile
CID 101455931
5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine
CID 13127067
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
(1S,2S,5R,6S,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 165340846
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
CID 124813963
(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 125492867
2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine
CID 123934151
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
[(4R,5R)-3-methyl-4-phenyl-1,3-oxazolidin-5-yl]methanol
CID 101352281

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine (CID 10686939) is (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine is C[C@@H]1[C@H](CI)ON(C)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine?
The InChIKey is DCGDSZNXGKWRHZ-ADEWGFFLSA-N. The full InChI is InChI=1S/C12H16INO/c1-9-11(8-13)15-14(2)12(9)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t9-,11+,12-/m1/s1.
What are the key properties of (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine?
(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine has a molecular weight of 317.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 10686939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).