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

C16H18F3N3O3S — CID 143561460

IUPAC4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)oc1C
InChIInChI=1S/C16H18F3N3O3S/c1-11-12(2)25-15(20-11)21-7-9-22(10-8-21)26(23,24)14-5-3-13(4-6-14)16(17,18)19/h3-6H,7-10H2,1-2H3
InChIKeySGEZUDUMKFWVTP-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.82
Rot. Bonds3

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

4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole (PubChem CID 143561460) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
PubChem CID143561460
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)oc1C
InChIInChI=1S/C16H18F3N3O3S/c1-11-12(2)25-15(20-11)21-7-9-22(10-8-21)26(23,24)14-5-3-13(4-6-14)16(17,18)19/h3-6H,7-10H2,1-2H3
InChIKeySGEZUDUMKFWVTP-UHFFFAOYSA-N
XLogP2.82
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
3-methyl-5-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 42947950
[(1S,2R)-2-methylcyclopropyl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 9301315
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26312429
1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3807892
2-methyl-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31841346
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
3-(2-methylpropyl)-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18231474
1-(4-ethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 29347792
2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoic acid
CID 119134386
(2S)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoic acid
CID 124692125

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole (CID 143561460) is 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole is Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
The InChIKey is SGEZUDUMKFWVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-11-12(2)25-15(20-11)21-7-9-22(10-8-21)26(23,24)14-5-3-13(4-6-14)16(17,18)19/h3-6H,7-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole has a molecular weight of 389.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 143561460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).