2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one

C7H11IN2O2 — CID 129309688

IUPAC2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(C(N)CI)OC1=O
InChIInChI=1S/C7H11IN2O2/c1-7(2)6(11)12-5(10-7)4(9)3-8/h4H,3,9H2,1-2H3
InChIKeySRHWDZCIYYAKJD-UHFFFAOYSA-N
MW282.08 g/mol
LogP0.48
Rot. Bonds2

About 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one

2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 129309688) has the molecular formula C7H11IN2O2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID129309688
Molecular FormulaC7H11IN2O2
Molecular Weight282.08 g/mol
Exact Mass281.99
IUPAC Name2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(C(N)CI)OC1=O
InChIInChI=1S/C7H11IN2O2/c1-7(2)6(11)12-5(10-7)4(9)3-8/h4H,3,9H2,1-2H3
InChIKeySRHWDZCIYYAKJD-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one (CID 129309688) is 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one is CC1(C)N=C(C(N)CI)OC1=O.
What is the InChIKey of 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is SRHWDZCIYYAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O2/c1-7(2)6(11)12-5(10-7)4(9)3-8/h4H,3,9H2,1-2H3.
What are the key properties of 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 282.08 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 129309688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).