[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine

C14H15F3N2O — CID 81196356

IUPAC[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2nc3cc(C(F)(F)F)ccc3o2)CCC1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-2-3-11-10(6-9)19-12(20-11)7-13(8-18)4-1-5-13/h2-3,6H,1,4-5,7-8,18H2
InChIKeyZSTPOVHTIWNSLC-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.52
Rot. Bonds3

About [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine

[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine (PubChem CID 81196356) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine
PubChem CID81196356
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2nc3cc(C(F)(F)F)ccc3o2)CCC1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-2-3-11-10(6-9)19-12(20-11)7-13(8-18)4-1-5-13/h2-3,6H,1,4-5,7-8,18H2
InChIKeyZSTPOVHTIWNSLC-UHFFFAOYSA-N
XLogP3.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine (CID 81196356) is [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine is NCC1(Cc2nc3cc(C(F)(F)F)ccc3o2)CCC1.
What is the InChIKey of [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine?
The InChIKey is ZSTPOVHTIWNSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)9-2-3-11-10(6-9)19-12(20-11)7-13(8-18)4-1-5-13/h2-3,6H,1,4-5,7-8,18H2.
What are the key properties of [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine?
[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine has a molecular weight of 284.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81196356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).