(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol

C5H6INO2 — CID 91618242

IUPAC(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol
SMILESCc1noc(CO)c1I
InChIInChI=1S/C5H6INO2/c1-3-5(6)4(2-8)9-7-3/h8H,2H2,1H3
InChIKeyJWROZXJJWOCEJO-UHFFFAOYSA-N
MW239.01 g/mol
LogP1.08
Rot. Bonds1

About (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol

(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol (PubChem CID 91618242) has the molecular formula C5H6INO2 and a molecular weight of 239.01 g/mol. Its IUPAC name is (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol
PubChem CID91618242
Molecular FormulaC5H6INO2
Molecular Weight239.01 g/mol
Exact Mass238.94
IUPAC Name(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol
SMILESCc1noc(CO)c1I
InChIInChI=1S/C5H6INO2/c1-3-5(6)4(2-8)9-7-3/h8H,2H2,1H3
InChIKeyJWROZXJJWOCEJO-UHFFFAOYSA-N
XLogP1.08
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol (CID 91618242) is (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol is Cc1noc(CO)c1I.
What is the InChIKey of (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol?
The InChIKey is JWROZXJJWOCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO2/c1-3-5(6)4(2-8)9-7-3/h8H,2H2,1H3.
What are the key properties of (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol?
(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol has a molecular weight of 239.01 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-3-methyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 91618242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).