3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine

C11H17F3N2O — CID 166483323

IUPAC3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine
SMILESCCCC(CC)c1cc(NCC(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O/c1-3-5-8(4-2)9-6-10(17-16-9)15-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyAIHGDYNIWGQBNN-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.94
Rot. Bonds6

About 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine

3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine (PubChem CID 166483323) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine
PubChem CID166483323
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine
SMILESCCCC(CC)c1cc(NCC(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O/c1-3-5-8(4-2)9-6-10(17-16-9)15-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyAIHGDYNIWGQBNN-UHFFFAOYSA-N
XLogP3.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine (CID 166483323) is 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine is CCCC(CC)c1cc(NCC(F)(F)F)on1.
What is the InChIKey of 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine?
The InChIKey is AIHGDYNIWGQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-5-8(4-2)9-6-10(17-16-9)15-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine?
3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine has a molecular weight of 250.26 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 166483323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).