4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole

C25H21ClFN3O3S — CID 18826888

IUPAC4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H21ClFN3O3S/c26-18-10-12-20(13-11-18)34(31,32)24-25(33-23(28-24)21-8-4-5-9-22(21)27)30-16-14-29(15-17-30)19-6-2-1-3-7-19/h1-13H,14-17H2
InChIKeyZFMGHUJROSMYEL-UHFFFAOYSA-N
MW497.98 g/mol
LogP5.29
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole

4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole (PubChem CID 18826888) has the molecular formula C25H21ClFN3O3S and a molecular weight of 497.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole
PubChem CID18826888
Molecular FormulaC25H21ClFN3O3S
Molecular Weight497.98 g/mol
Exact Mass497.10
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H21ClFN3O3S/c26-18-10-12-20(13-11-18)34(31,32)24-25(33-23(28-24)21-8-4-5-9-22(21)27)30-16-14-29(15-17-30)19-6-2-1-3-7-19/h1-13H,14-17H2
InChIKeyZFMGHUJROSMYEL-UHFFFAOYSA-N
XLogP5.29
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-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-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole (CID 18826888) is 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole?
The InChIKey is ZFMGHUJROSMYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O3S/c26-18-10-12-20(13-11-18)34(31,32)24-25(33-23(28-24)21-8-4-5-9-22(21)27)30-16-14-29(15-17-30)19-6-2-1-3-7-19/h1-13H,14-17H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole has a molecular weight of 497.98 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18826888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).