3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole

C24H25F6N5O4S — CID 58040208

IUPAC3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Cc2nc(Cc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C24H25F6N5O4S/c1-14-21(15(2)39-34-14)40(36,37)35-8-6-16(7-9-35)11-19-31-20(33-22(32-19)38-13-23(25,26)27)12-17-4-3-5-18(10-17)24(28,29)30/h3-5,10,16H,6-9,11-13H2,1-2H3
InChIKeyHIRRQRCHVXRYLY-UHFFFAOYSA-N
MW593.55 g/mol
LogP4.67
Rot. Bonds8

About 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 58040208) has the molecular formula C24H25F6N5O4S and a molecular weight of 593.55 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID58040208
Molecular FormulaC24H25F6N5O4S
Molecular Weight593.55 g/mol
Exact Mass593.15
IUPAC Name3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Cc2nc(Cc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C24H25F6N5O4S/c1-14-21(15(2)39-34-14)40(36,37)35-8-6-16(7-9-35)11-19-31-20(33-22(32-19)38-13-23(25,26)27)12-17-4-3-5-18(10-17)24(28,29)30/h3-5,10,16H,6-9,11-13H2,1-2H3
InChIKeyHIRRQRCHVXRYLY-UHFFFAOYSA-N
XLogP4.67
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole with MolForge

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Related Compounds

3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039451
1-[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]pyrrolidin-3-one
CID 58039879
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
ethyl 4-[3-[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]benzoyl]piperazine-1-carboxylate
CID 58040230
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]propan-1-one
CID 58040191
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53118718
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole (CID 58040208) is 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2nc(Cc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is HIRRQRCHVXRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N5O4S/c1-14-21(15(2)39-34-14)40(36,37)35-8-6-16(7-9-35)11-19-31-20(33-22(32-19)38-13-23(25,26)27)12-17-4-3-5-18(10-17)24(28,29)30/h3-5,10,16H,6-9,11-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 593.55 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 58040208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).