5-tert-butyl-2-iodo-1,3-oxazole

C7H10INO — CID 126702397

IUPAC5-tert-butyl-2-iodo-1,3-oxazole
SMILESCC(C)(C)c1cnc(I)o1
InChIInChI=1S/C7H10INO/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3
InChIKeyIEKGLKFRPBNNED-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.58
Rot. Bonds

About 5-tert-butyl-2-iodo-1,3-oxazole

5-tert-butyl-2-iodo-1,3-oxazole (PubChem CID 126702397) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is 5-tert-butyl-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-iodo-1,3-oxazole
PubChem CID126702397
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name5-tert-butyl-2-iodo-1,3-oxazole
SMILESCC(C)(C)c1cnc(I)o1
InChIInChI=1S/C7H10INO/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3
InChIKeyIEKGLKFRPBNNED-UHFFFAOYSA-N
XLogP2.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-iodo-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-iodo-1,3-oxazole (CID 126702397) is 5-tert-butyl-2-iodo-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-iodo-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-iodo-1,3-oxazole is CC(C)(C)c1cnc(I)o1.
What is the InChIKey of 5-tert-butyl-2-iodo-1,3-oxazole?
The InChIKey is IEKGLKFRPBNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3.
What are the key properties of 5-tert-butyl-2-iodo-1,3-oxazole?
5-tert-butyl-2-iodo-1,3-oxazole has a molecular weight of 251.07 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-iodo-1,3-oxazole is sourced from PubChem (CID 126702397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).