butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium

C10H15F3N2O2S — CID 175955286

IUPACbutan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium
SMILESCCC(C)[S+]([O-])NCc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C10H15F3N2O2S/c1-4-6(2)18(16)14-5-8-9(10(11,12)13)17-7(3)15-8/h6,14H,4-5H2,1-3H3
InChIKeyLUAWDRIBPFPIDS-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.55
Rot. Bonds5

About butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium

butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium (PubChem CID 175955286) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium.

Molecular Properties

Compound Namebutan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium
PubChem CID175955286
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Namebutan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium
SMILESCCC(C)[S+]([O-])NCc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C10H15F3N2O2S/c1-4-6(2)18(16)14-5-8-9(10(11,12)13)17-7(3)15-8/h6,14H,4-5H2,1-3H3
InChIKeyLUAWDRIBPFPIDS-UHFFFAOYSA-N
XLogP2.55
TPSA61.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium?
The IUPAC name of butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium (CID 175955286) is butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium.
What is the SMILES notation for butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium?
The canonical SMILES for butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium is CCC(C)[S+]([O-])NCc1nc(C)oc1C(F)(F)F.
What is the InChIKey of butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium?
The InChIKey is LUAWDRIBPFPIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c1-4-6(2)18(16)14-5-8-9(10(11,12)13)17-7(3)15-8/h6,14H,4-5H2,1-3H3.
What are the key properties of butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium?
butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium has a molecular weight of 284.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium is sourced from PubChem (CID 175955286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).