N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine

C15H12F3N3O2 — CID 133398672

IUPACN-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1cccnc1OCCNc1nc2ccccc2o1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)10-4-3-7-19-13(10)22-9-8-20-14-21-11-5-1-2-6-12(11)23-14/h1-7H,8-9H2,(H,20,21)
InChIKeyVJDZFHJLGFMEQD-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.73
Rot. Bonds5

About N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine

N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine (PubChem CID 133398672) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine
PubChem CID133398672
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1cccnc1OCCNc1nc2ccccc2o1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)10-4-3-7-19-13(10)22-9-8-20-14-21-11-5-1-2-6-12(11)23-14/h1-7H,8-9H2,(H,20,21)
InChIKeyVJDZFHJLGFMEQD-UHFFFAOYSA-N
XLogP3.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
CID 133423721
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596
4-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]aniline
CID 133398696
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398642
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 133275381
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-[3-(2-methylpropoxy)propyl]-1,3-benzoxazol-2-amine
CID 103609074

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine (CID 133398672) is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine is FC(F)(F)c1cccnc1OCCNc1nc2ccccc2o1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is VJDZFHJLGFMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)10-4-3-7-19-13(10)22-9-8-20-14-21-11-5-1-2-6-12(11)23-14/h1-7H,8-9H2,(H,20,21).
What are the key properties of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine?
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 323.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133398672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).