2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine

C14H17F3N2O — CID 115430669

IUPAC2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C14H17F3N2O/c1-3-13(4-2,8-18)12-19-10-7-9(14(15,16)17)5-6-11(10)20-12/h5-7H,3-4,8,18H2,1-2H3
InChIKeyPBIMZXCLCJZWNH-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.86
Rot. Bonds4

About 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine

2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine (PubChem CID 115430669) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine
PubChem CID115430669
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C14H17F3N2O/c1-3-13(4-2,8-18)12-19-10-7-9(14(15,16)17)5-6-11(10)20-12/h5-7H,3-4,8,18H2,1-2H3
InChIKeyPBIMZXCLCJZWNH-UHFFFAOYSA-N
XLogP3.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
CID 115430668
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
CID 82231280
5-tert-butyl-2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 122642760
2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 115430280
4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-2-amine
CID 81197499
1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
CID 81198454
2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine
CID 79799236
[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
CID 81198834
[1-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]cyclobutyl]methanamine
CID 81196356
1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
CID 84704388
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 157459710
2-(4-ethylsulfinylphenyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 118035627

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine (CID 115430669) is 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine is CCC(CC)(CN)c1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine?
The InChIKey is PBIMZXCLCJZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-3-13(4-2,8-18)12-19-10-7-9(14(15,16)17)5-6-11(10)20-12/h5-7H,3-4,8,18H2,1-2H3.
What are the key properties of 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine?
2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine has a molecular weight of 286.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine is sourced from PubChem (CID 115430669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).