2-[(1R)-1-iodoethyl]-1,3-oxazole

C5H6INO — CID 149131745

IUPAC2-[(1R)-1-iodoethyl]-1,3-oxazole
SMILESC[C@@H](I)c1ncco1
InChIInChI=1S/C5H6INO/c1-4(6)5-7-2-3-8-5/h2-4H,1H3/t4-/m1/s1
InChIKeyRCQAQWIXLZKBLS-SCSAIBSYSA-N
MW223.01 g/mol
LogP2.17
Rot. Bonds1

About 2-[(1R)-1-iodoethyl]-1,3-oxazole

2-[(1R)-1-iodoethyl]-1,3-oxazole (PubChem CID 149131745) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 2-[(1R)-1-iodoethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(1R)-1-iodoethyl]-1,3-oxazole
PubChem CID149131745
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name2-[(1R)-1-iodoethyl]-1,3-oxazole
SMILESC[C@@H](I)c1ncco1
InChIInChI=1S/C5H6INO/c1-4(6)5-7-2-3-8-5/h2-4H,1H3/t4-/m1/s1
InChIKeyRCQAQWIXLZKBLS-SCSAIBSYSA-N
XLogP2.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 52.17
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

ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-(1,3-oxazol-2-yl)propanenitrile
CID 119087354
2-(difluoromethyl)-1,3-oxazole
CID 142510645
2-(dichloromethyl)-1,3-oxazole
CID 53407610
2-(2-methylpentan-3-yl)-1,3-oxazole
CID 170118865
CID 163484529
CID 163484529
2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
CID 166692011
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-iodoethyl]-1,3-oxazole?
The IUPAC name of 2-[(1R)-1-iodoethyl]-1,3-oxazole (CID 149131745) is 2-[(1R)-1-iodoethyl]-1,3-oxazole.
What is the SMILES notation for 2-[(1R)-1-iodoethyl]-1,3-oxazole?
The canonical SMILES for 2-[(1R)-1-iodoethyl]-1,3-oxazole is C[C@@H](I)c1ncco1.
What is the InChIKey of 2-[(1R)-1-iodoethyl]-1,3-oxazole?
The InChIKey is RCQAQWIXLZKBLS-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6INO/c1-4(6)5-7-2-3-8-5/h2-4H,1H3/t4-/m1/s1.
What are the key properties of 2-[(1R)-1-iodoethyl]-1,3-oxazole?
2-[(1R)-1-iodoethyl]-1,3-oxazole has a molecular weight of 223.01 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-iodoethyl]-1,3-oxazole is sourced from PubChem (CID 149131745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).