(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole

C6H10INO — CID 89231723

IUPAC(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC(I)C1=N[C@@H](C)CO1
InChIInChI=1S/C6H10INO/c1-4-3-9-6(8-4)5(2)7/h4-5H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyGIFDHQHTHRDVSR-ROLXFIACSA-N
MW239.06 g/mol
LogP1.63
Rot. Bonds1

About (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole

(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 89231723) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID89231723
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC(I)C1=N[C@@H](C)CO1
InChIInChI=1S/C6H10INO/c1-4-3-9-6(8-4)5(2)7/h4-5H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyGIFDHQHTHRDVSR-ROLXFIACSA-N
XLogP1.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.63
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 (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole (CID 89231723) is (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole is CC(I)C1=N[C@@H](C)CO1.
What is the InChIKey of (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GIFDHQHTHRDVSR-ROLXFIACSA-N. The full InChI is InChI=1S/C6H10INO/c1-4-3-9-6(8-4)5(2)7/h4-5H,3H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 239.06 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 89231723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).