2-methyliodanuidyl-1,3-oxazole

C4H5INO- — CID 147833148

IUPAC2-methyliodanuidyl-1,3-oxazole
SMILESC[I-]c1ncco1
InChIInChI=1S/C4H5INO/c1-5-4-6-2-3-7-4/h2-3H,1H3/q-1
InChIKeyBFGKKKVUOQRHNF-UHFFFAOYSA-N
MW209.99 g/mol
LogP-2.44
Rot. Bonds1

About 2-methyliodanuidyl-1,3-oxazole

2-methyliodanuidyl-1,3-oxazole (PubChem CID 147833148) has the molecular formula C4H5INO- and a molecular weight of 209.99 g/mol. Its IUPAC name is 2-methyliodanuidyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyliodanuidyl-1,3-oxazole
PubChem CID147833148
Molecular FormulaC4H5INO-
Molecular Weight209.99 g/mol
Exact Mass209.94
IUPAC Name2-methyliodanuidyl-1,3-oxazole
SMILESC[I-]c1ncco1
InChIInChI=1S/C4H5INO/c1-5-4-6-2-3-7-4/h2-3H,1H3/q-1
InChIKeyBFGKKKVUOQRHNF-UHFFFAOYSA-N
XLogP-2.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.99
LogP ≤ 5-2.44
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

trimethyl(1,3-oxazol-2-yl)-λ4-sulfane
CID 90872919
2-(dideuteriomethyl)-1,3-oxazole
CID 167525558
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
CID 90278010
ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
carbon dioxide;2-ethynyl-1,3-oxazole
CID 159343815
2-(1,1-diiodoethyl)-1,3-oxazole
CID 142182148
CID 163484529
CID 163484529
2-(dichloromethyl)-1,3-oxazole
CID 53407610

Frequently Asked Questions

What is the IUPAC name of 2-methyliodanuidyl-1,3-oxazole?
The IUPAC name of 2-methyliodanuidyl-1,3-oxazole (CID 147833148) is 2-methyliodanuidyl-1,3-oxazole.
What is the SMILES notation for 2-methyliodanuidyl-1,3-oxazole?
The canonical SMILES for 2-methyliodanuidyl-1,3-oxazole is C[I-]c1ncco1.
What is the InChIKey of 2-methyliodanuidyl-1,3-oxazole?
The InChIKey is BFGKKKVUOQRHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5INO/c1-5-4-6-2-3-7-4/h2-3H,1H3/q-1.
What are the key properties of 2-methyliodanuidyl-1,3-oxazole?
2-methyliodanuidyl-1,3-oxazole has a molecular weight of 209.99 g/mol, XLogP of -2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliodanuidyl-1,3-oxazole is sourced from PubChem (CID 147833148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).