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

C12H13F3N4O — CID 106960559

IUPAC5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-11-19-18-10(20-11)5-6-16/h1-4H,5-7,16H2,(H,17,19)
InChIKeyQHIXEAIOQNCKIQ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.20
Rot. Bonds5

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

5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960559) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960559
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-11-19-18-10(20-11)5-6-16/h1-4H,5-7,16H2,(H,17,19)
InChIKeyQHIXEAIOQNCKIQ-UHFFFAOYSA-N
XLogP2.20
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390
5-(2-aminopropan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154918181
5-[(tert-butylamino)methyl]-N-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968170
5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106296571
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734
5-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106413138
2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbothioamide
CID 107547347

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 106960559) is 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is NCCc1nnc(NCc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QHIXEAIOQNCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-11-19-18-10(20-11)5-6-16/h1-4H,5-7,16H2,(H,17,19).
What are the key properties of 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 286.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).