2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol

C7H10BrINO2- — CID 169165895

IUPAC2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol
SMILESC[I-]c1oc(C(C)(C)O)nc1Br
InChIInChI=1S/C7H10BrINO2/c1-7(2,11)6-10-4(8)5(9-3)12-6/h11H,1-3H3/q-1
InChIKeyKCJRSQXZSKKZDI-UHFFFAOYSA-N
MW346.97 g/mol
LogP-1.45
Rot. Bonds2

About 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol

2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol (PubChem CID 169165895) has the molecular formula C7H10BrINO2- and a molecular weight of 346.97 g/mol. Its IUPAC name is 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol
PubChem CID169165895
Molecular FormulaC7H10BrINO2-
Molecular Weight346.97 g/mol
Exact Mass345.89
IUPAC Name2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol
SMILESC[I-]c1oc(C(C)(C)O)nc1Br
InChIInChI=1S/C7H10BrINO2/c1-7(2,11)6-10-4(8)5(9-3)12-6/h11H,1-3H3/q-1
InChIKeyKCJRSQXZSKKZDI-UHFFFAOYSA-N
XLogP-1.45
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.97
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol (CID 169165895) is 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol is C[I-]c1oc(C(C)(C)O)nc1Br.
What is the InChIKey of 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol?
The InChIKey is KCJRSQXZSKKZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrINO2/c1-7(2,11)6-10-4(8)5(9-3)12-6/h11H,1-3H3/q-1.
What are the key properties of 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol?
2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol has a molecular weight of 346.97 g/mol, XLogP of -1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol is sourced from PubChem (CID 169165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).