4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole

C24H19F2NO2 — CID 121458505

IUPAC4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole
SMILESCOc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1
InChIInChI=1S/C24H19F2NO2/c1-28-17-8-6-7-16(15-17)13-14-22-27-23(18-9-2-4-11-20(18)25)24(29-22)19-10-3-5-12-21(19)26/h2-12,15H,13-14H2,1H3
InChIKeySINDELGQZDQOLF-UHFFFAOYSA-N
MW391.42 g/mol
LogP6.08
Rot. Bonds6

About 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole

4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole (PubChem CID 121458505) has the molecular formula C24H19F2NO2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole
PubChem CID121458505
Molecular FormulaC24H19F2NO2
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole
SMILESCOc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1
InChIInChI=1S/C24H19F2NO2/c1-28-17-8-6-7-16(15-17)13-14-22-27-23(18-9-2-4-11-20(18)25)24(29-22)19-10-3-5-12-21(19)26/h2-12,15H,13-14H2,1H3
InChIKeySINDELGQZDQOLF-UHFFFAOYSA-N
XLogP6.08
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole (CID 121458505) is 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole is COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1.
What is the InChIKey of 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole?
The InChIKey is SINDELGQZDQOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO2/c1-28-17-8-6-7-16(15-17)13-14-22-27-23(18-9-2-4-11-20(18)25)24(29-22)19-10-3-5-12-21(19)26/h2-12,15H,13-14H2,1H3.
What are the key properties of 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole?
4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole has a molecular weight of 391.42 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-fluorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 121458505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).