1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide

C12H19F3N4O3S — CID 120778634

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)on1
InChIInChI=1S/C12H19F3N4O3S/c1-9-6-10(22-18-9)8-23(20,21)17-7-11(12(13,14)15)19-4-2-16-3-5-19/h6,11,16-17H,2-5,7-8H2,1H3
InChIKeyNXKAJNVBOXZCKH-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.24
Rot. Bonds6

About 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide

1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 120778634) has the molecular formula C12H19F3N4O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID120778634
Molecular FormulaC12H19F3N4O3S
Molecular Weight356.37 g/mol
Exact Mass356.11
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)on1
InChIInChI=1S/C12H19F3N4O3S/c1-9-6-10(22-18-9)8-23(20,21)17-7-11(12(13,14)15)19-4-2-16-3-5-19/h6,11,16-17H,2-5,7-8H2,1H3
InChIKeyNXKAJNVBOXZCKH-UHFFFAOYSA-N
XLogP0.24
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide with MolForge

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Related Compounds

1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 45830997
N-cyclohexyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137970
N-[(2S)-heptan-2-yl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 95781612
N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide
CID 126832319
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61822328
N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103731731
1-(5-methyl-1,2-oxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide
CID 113240013
N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 114384148
3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120778469
3,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 120778470
1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120778633
N-(2,2-difluoroethyl)-N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 121570318

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide (CID 120778634) is 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is NXKAJNVBOXZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O3S/c1-9-6-10(22-18-9)8-23(20,21)17-7-11(12(13,14)15)19-4-2-16-3-5-19/h6,11,16-17H,2-5,7-8H2,1H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 356.37 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 120778634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).