[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

C20H20F5N3O4S — CID 118013243

IUPAC[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1cccc(F)c1F
InChIInChI=1S/C20H20F5N3O4S/c21-14-3-1-2-13(18(14)22)15-11-27(17-10-16(32-26-17)20(23,24)25)6-7-28(15)19(29)12-4-8-33(30,31)9-5-12/h1-3,10,12,15H,4-9,11H2
InChIKeyYTLUKWXDWZGNJB-UHFFFAOYSA-N
MW493.45 g/mol
LogP3.19
Rot. Bonds3

About [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (PubChem CID 118013243) has the molecular formula C20H20F5N3O4S and a molecular weight of 493.45 g/mol. Its IUPAC name is [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
PubChem CID118013243
Molecular FormulaC20H20F5N3O4S
Molecular Weight493.45 g/mol
Exact Mass493.11
IUPAC Name[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1cccc(F)c1F
InChIInChI=1S/C20H20F5N3O4S/c21-14-3-1-2-13(18(14)22)15-11-27(17-10-16(32-26-17)20(23,24)25)6-7-28(15)19(29)12-4-8-33(30,31)9-5-12/h1-3,10,12,15H,4-9,11H2
InChIKeyYTLUKWXDWZGNJB-UHFFFAOYSA-N
XLogP3.19
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone 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 [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
The IUPAC name of [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (CID 118013243) is [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.
What is the SMILES notation for [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
The canonical SMILES for [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1cccc(F)c1F.
What is the InChIKey of [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
The InChIKey is YTLUKWXDWZGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O4S/c21-14-3-1-2-13(18(14)22)15-11-27(17-10-16(32-26-17)20(23,24)25)6-7-28(15)19(29)12-4-8-33(30,31)9-5-12/h1-3,10,12,15H,4-9,11H2.
What are the key properties of [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone has a molecular weight of 493.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is sourced from PubChem (CID 118013243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).