5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C11H11F3N4O — CID 106966399

IUPAC5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)7-2-1-3-8(6-7)16-10-18-17-9(19-10)4-5-15/h1-3,6H,4-5,15H2,(H,16,18)
InChIKeyWTLDQUDVQRGTQI-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.33
Rot. Bonds4

About 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966399) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966399
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)7-2-1-3-8(6-7)16-10-18-17-9(19-10)4-5-15/h1-3,6H,4-5,15H2,(H,16,18)
InChIKeyWTLDQUDVQRGTQI-UHFFFAOYSA-N
XLogP2.33
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 110456556
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390
5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106969727
5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 59152546
5-(2-chloroethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106957638
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
5-[3-(2-pyridin-4-ylethyl)-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 142315863
5-[2-(3-pyridin-4-ylprop-1-en-2-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 89127762
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 114209258
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 106966399) is 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is NCCc1nnc(Nc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WTLDQUDVQRGTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)7-2-1-3-8(6-7)16-10-18-17-9(19-10)4-5-15/h1-3,6H,4-5,15H2,(H,16,18).
What are the key properties of 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 272.23 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).