2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C19H17F2NO2 — CID 11255947

IUPAC2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2OC2(c2ccc(F)cc2)c2ccc(F)cc2)=N1
InChIInChI=1S/C19H17F2NO2/c1-18(2)11-23-17(22-18)16-19(24-16,12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeyFUMAVXBWKOXAQG-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.81
Rot. Bonds3

About 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11255947) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11255947
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2OC2(c2ccc(F)cc2)c2ccc(F)cc2)=N1
InChIInChI=1S/C19H17F2NO2/c1-18(2)11-23-17(22-18)16-19(24-16,12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeyFUMAVXBWKOXAQG-UHFFFAOYSA-N
XLogP3.81
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 11255947) is 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C2OC2(c2ccc(F)cc2)c2ccc(F)cc2)=N1.
What is the InChIKey of 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is FUMAVXBWKOXAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-18(2)11-23-17(22-18)16-19(24-16,12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 329.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(4-fluorophenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11255947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).