3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

C24H22F5N3O4 — CID 22220961

IUPAC3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21F2N3O2.C2HF3O2/c23-18-8-5-16(6-9-18)22-17(15-25-29-22)7-10-21(28)27-13-11-26(12-14-27)20-4-2-1-3-19(20)24;3-2(4,5)1(6)7/h1-6,8-9,15H,7,10-14H2;(H,6,7)
InChIKeyIAHISLAXYYKGHU-UHFFFAOYSA-N
MW511.45 g/mol
LogP4.53
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 22220961) has the molecular formula C24H22F5N3O4 and a molecular weight of 511.45 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
PubChem CID22220961
Molecular FormulaC24H22F5N3O4
Molecular Weight511.45 g/mol
Exact Mass511.15
IUPAC Name3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21F2N3O2.C2HF3O2/c23-18-8-5-16(6-9-18)22-17(15-25-29-22)7-10-21(28)27-13-11-26(12-14-27)20-4-2-1-3-19(20)24;3-2(4,5)1(6)7/h1-6,8-9,15H,7,10-14H2;(H,6,7)
InChIKeyIAHISLAXYYKGHU-UHFFFAOYSA-N
XLogP4.53
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid 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 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (CID 22220961) is 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is IAHISLAXYYKGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2.C2HF3O2/c23-18-8-5-16(6-9-18)22-17(15-25-29-22)7-10-21(28)27-13-11-26(12-14-27)20-4-2-1-3-19(20)24;3-2(4,5)1(6)7/h1-6,8-9,15H,7,10-14H2;(H,6,7).
What are the key properties of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 511.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22220961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).