3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole

C19H18F3N3O4S2 — CID 50840132

IUPAC3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)CC1
InChIInChI=1S/C19H18F3N3O4S2/c1-28-16-5-3-2-4-15(16)24-6-8-25(9-7-24)31(26,27)18-10-13(12-30-18)14-11-17(29-23-14)19(20,21)22/h2-5,10-12H,6-9H2,1H3
InChIKeyZZZGLBSXNLESOL-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.94
Rot. Bonds5

About 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole

3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 50840132) has the molecular formula C19H18F3N3O4S2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID50840132
Molecular FormulaC19H18F3N3O4S2
Molecular Weight473.50 g/mol
Exact Mass473.07
IUPAC Name3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)CC1
InChIInChI=1S/C19H18F3N3O4S2/c1-28-16-5-3-2-4-15(16)24-6-8-25(9-7-24)31(26,27)18-10-13(12-30-18)14-11-17(29-23-14)19(20,21)22/h2-5,10-12H,6-9H2,1H3
InChIKeyZZZGLBSXNLESOL-UHFFFAOYSA-N
XLogP3.94
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(4-benzylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840219
4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56731158
N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 92884993
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 46396342
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
[3-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53126407
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine
CID 42285551

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole (CID 50840132) is 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole is COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)CC1.
What is the InChIKey of 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is ZZZGLBSXNLESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S2/c1-28-16-5-3-2-4-15(16)24-6-8-25(9-7-24)31(26,27)18-10-13(12-30-18)14-11-17(29-23-14)19(20,21)22/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole?
3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 473.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 50840132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).