[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C24H20FN3O4S2 — CID 51045432

IUPAC[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H20FN3O4S2/c25-18-10-8-17(9-11-18)21-26-22(34(30,31)19-5-2-1-3-6-19)24(32-21)28-14-12-27(13-15-28)23(29)20-7-4-16-33-20/h1-11,16H,12-15H2
InChIKeyWZIFGLJBGIZJNP-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.34
Rot. Bonds5

About [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 51045432) has the molecular formula C24H20FN3O4S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID51045432
Molecular FormulaC24H20FN3O4S2
Molecular Weight497.57 g/mol
Exact Mass497.09
IUPAC Name[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H20FN3O4S2/c25-18-10-8-17(9-11-18)21-26-22(34(30,31)19-5-2-1-3-6-19)24(32-21)28-14-12-27(13-15-28)23(29)20-7-4-16-33-20/h1-11,16H,12-15H2
InChIKeyWZIFGLJBGIZJNP-UHFFFAOYSA-N
XLogP4.34
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone 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

[4-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 51045458
1-[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone
CID 53048957
1-[4-[4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone
CID 45032851
[4-[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 53045035
5-(azepan-1-yl)-4-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole
CID 5267327
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
(4-methylphenyl)-[4-[4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperazin-1-yl]methanone
CID 53045073
5-(4-benzhydrylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole
CID 5267348
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2964756
5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 18825236
2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825898
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 4825656

Frequently Asked Questions

What is the IUPAC name of [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 51045432) is [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WZIFGLJBGIZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S2/c25-18-10-8-17(9-11-18)21-26-22(34(30,31)19-5-2-1-3-6-19)24(32-21)28-14-12-27(13-15-28)23(29)20-7-4-16-33-20/h1-11,16H,12-15H2.
What are the key properties of [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 497.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 51045432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).