3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

C16H18F3N3O3S — CID 51245976

IUPAC3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)on1
InChIInChI=1S/C16H18F3N3O3S/c1-12-10-13(25-20-12)11-21-6-8-22(9-7-21)26(23,24)15-5-3-2-4-14(15)16(17,18)19/h2-5,10H,6-9,11H2,1H3
InChIKeyCNPLTVQFBASCMK-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 51245976) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID51245976
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)on1
InChIInChI=1S/C16H18F3N3O3S/c1-12-10-13(25-20-12)11-21-6-8-22(9-7-21)26(23,24)15-5-3-2-4-14(15)16(17,18)19/h2-5,10H,6-9,11H2,1H3
InChIKeyCNPLTVQFBASCMK-UHFFFAOYSA-N
XLogP2.51
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142320
1-(thiophen-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30990917
5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306
5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 51245978
[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone
CID 75474398
methyl 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151747
(2R)-2-methyl-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 8689830
N-[(2R)-3-methylbutan-2-yl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553864
3-methyl-8-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylquinoline
CID 37089838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (CID 51245976) is 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CNPLTVQFBASCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-12-10-13(25-20-12)11-21-6-8-22(9-7-21)26(23,24)15-5-3-2-4-14(15)16(17,18)19/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 389.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 51245976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).