3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one

C24H25ClFN3O3 — CID 53325714

IUPAC3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1
InChIInChI=1S/C24H25ClFN3O3/c25-19-6-4-17(5-7-19)22(18-2-1-3-20(26)12-18)13-24(31)29-10-8-28(9-11-29)14-23-27-21(15-30)16-32-23/h1-7,12,16,22,30H,8-11,13-15H2
InChIKeyXLOARWLMXQBVDV-UHFFFAOYSA-N
MW457.93 g/mol
LogP3.83
Rot. Bonds7

About 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 53325714) has the molecular formula C24H25ClFN3O3 and a molecular weight of 457.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID53325714
Molecular FormulaC24H25ClFN3O3
Molecular Weight457.93 g/mol
Exact Mass457.16
IUPAC Name3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1
InChIInChI=1S/C24H25ClFN3O3/c25-19-6-4-17(5-7-19)22(18-2-1-3-20(26)12-18)13-24(31)29-10-8-28(9-11-29)14-23-27-21(15-30)16-32-23/h1-7,12,16,22,30H,8-11,13-15H2
InChIKeyXLOARWLMXQBVDV-UHFFFAOYSA-N
XLogP3.83
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.93
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[[4-[3-(4-chlorophenyl)-3-(3-fluorophenyl)propanoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 53321729
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 37085848
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
2-(4-chlorophenoxy)-1-[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 53148652
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
[2-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-(4-benzylpiperazin-1-yl)methanone
CID 46055800
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 5043701
7-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-2-(3-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803087
1-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 43982569

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one (CID 53325714) is 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one is O=C(CC(c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is XLOARWLMXQBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O3/c25-19-6-4-17(5-7-19)22(18-2-1-3-20(26)12-18)13-24(31)29-10-8-28(9-11-29)14-23-27-21(15-30)16-32-23/h1-7,12,16,22,30H,8-11,13-15H2.
What are the key properties of 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 457.93 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(3-fluorophenyl)-1-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53325714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).