2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole

C17H14F2INO2 — CID 67655117

IUPAC2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCOc1cc(I)ccc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C17H14F2INO2/c1-2-22-15-8-10(20)6-7-11(15)14-9-23-17(21-14)16-12(18)4-3-5-13(16)19/h3-8,14H,2,9H2,1H3
InChIKeyRIJNUTQAYHWIES-UHFFFAOYSA-N
MW429.20 g/mol
LogP4.49
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 67655117) has the molecular formula C17H14F2INO2 and a molecular weight of 429.20 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID67655117
Molecular FormulaC17H14F2INO2
Molecular Weight429.20 g/mol
Exact Mass429.00
IUPAC Name2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCOc1cc(I)ccc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C17H14F2INO2/c1-2-22-15-8-10(20)6-7-11(15)14-9-23-17(21-14)16-12(18)4-3-5-13(16)19/h3-8,14H,2,9H2,1H3
InChIKeyRIJNUTQAYHWIES-UHFFFAOYSA-N
XLogP4.49
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole (CID 67655117) is 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole is CCOc1cc(I)ccc1C1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RIJNUTQAYHWIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2INO2/c1-2-22-15-8-10(20)6-7-11(15)14-9-23-17(21-14)16-12(18)4-3-5-13(16)19/h3-8,14H,2,9H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 429.20 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67655117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).