(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole

C5H8INO — CID 11770119

IUPAC(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](CI)C1
InChIInChI=1S/C5H8INO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyFPKVKAFIEVJUAF-RXMQYKEDSA-N
MW225.03 g/mol
LogP1.59
Rot. Bonds1

About (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole

(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 11770119) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID11770119
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC Name(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](CI)C1
InChIInChI=1S/C5H8INO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyFPKVKAFIEVJUAF-RXMQYKEDSA-N
XLogP1.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 11770119) is (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](CI)C1.
What is the InChIKey of (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is FPKVKAFIEVJUAF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8INO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 225.03 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11770119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).