3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide

C12H19F3N4O3S — CID 120778470

IUPAC3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N4O3S/c1-8-11(9(2)22-18-8)23(20,21)17-7-10(12(13,14)15)19-5-3-16-4-6-19/h10,16-17H,3-7H2,1-2H3
InChIKeyUAPIYVFKOXSCLV-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.41
Rot. Bonds5

About 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide (PubChem CID 120778470) has the molecular formula C12H19F3N4O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
PubChem CID120778470
Molecular FormulaC12H19F3N4O3S
Molecular Weight356.37 g/mol
Exact Mass356.11
IUPAC Name3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N4O3S/c1-8-11(9(2)22-18-8)23(20,21)17-7-10(12(13,14)15)19-5-3-16-4-6-19/h10,16-17H,3-7H2,1-2H3
InChIKeyUAPIYVFKOXSCLV-UHFFFAOYSA-N
XLogP0.41
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide (CID 120778470) is 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is UAPIYVFKOXSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O3S/c1-8-11(9(2)22-18-8)23(20,21)17-7-10(12(13,14)15)19-5-3-16-4-6-19/h10,16-17H,3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 356.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 120778470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).