4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole

C7H10INO — CID 158552159

IUPAC4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole
SMILESCc1onc(C(C)C)c1I
InChIInChI=1S/C7H10INO/c1-4(2)7-6(8)5(3)10-9-7/h4H,1-3H3
InChIKeyQCKGVBPJKPBRAA-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.71
Rot. Bonds1

About 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole

4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole (PubChem CID 158552159) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole
PubChem CID158552159
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole
SMILESCc1onc(C(C)C)c1I
InChIInChI=1S/C7H10INO/c1-4(2)7-6(8)5(3)10-9-7/h4H,1-3H3
InChIKeyQCKGVBPJKPBRAA-UHFFFAOYSA-N
XLogP2.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.71
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 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole (CID 158552159) is 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole is Cc1onc(C(C)C)c1I.
What is the InChIKey of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole?
The InChIKey is QCKGVBPJKPBRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO/c1-4(2)7-6(8)5(3)10-9-7/h4H,1-3H3.
What are the key properties of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole?
4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole has a molecular weight of 251.07 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 158552159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).