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

C6H7FINO — CID 163706383

IUPAC4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(I)nc1F
InChIInChI=1S/C6H7FINO/c1-3(2)4-5(7)9-6(8)10-4/h3H,1-2H3
InChIKeyKFKVIASZSVYVHE-UHFFFAOYSA-N
MW255.03 g/mol
LogP2.54
Rot. Bonds1

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

4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole (PubChem CID 163706383) has the molecular formula C6H7FINO and a molecular weight of 255.03 g/mol. Its IUPAC name is 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole
PubChem CID163706383
Molecular FormulaC6H7FINO
Molecular Weight255.03 g/mol
Exact Mass254.96
IUPAC Name4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc(I)nc1F
InChIInChI=1S/C6H7FINO/c1-3(2)4-5(7)9-6(8)10-4/h3H,1-2H3
InChIKeyKFKVIASZSVYVHE-UHFFFAOYSA-N
XLogP2.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 52.54
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-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole (CID 163706383) is 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole is CC(C)c1oc(I)nc1F.
What is the InChIKey of 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole?
The InChIKey is KFKVIASZSVYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FINO/c1-3(2)4-5(7)9-6(8)10-4/h3H,1-2H3.
What are the key properties of 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole?
4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole has a molecular weight of 255.03 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 163706383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).