2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H10F3N3O — CID 82184349

IUPAC2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNC(Cc1ccccc1)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)10-17-16-9(18-10)8(15)6-7-4-2-1-3-5-7/h1-5,8H,6,15H2
InChIKeyIQVOQMLPPAINNV-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.33
Rot. Bonds3

About 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine

2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 82184349) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID82184349
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNC(Cc1ccccc1)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)10-17-16-9(18-10)8(15)6-7-4-2-1-3-5-7/h1-5,8H,6,15H2
InChIKeyIQVOQMLPPAINNV-UHFFFAOYSA-N
XLogP2.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 42587067
(1R)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 6546261
1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 3739605
2-phenyl-1-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 22694291
(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 137338039
(1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 937321
(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 663074
1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine;hydrochloride
CID 16876446
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314688
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
ethyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 52995027
5-[(1R)-1-amino-2-phenylethyl]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137334537

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 82184349) is 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is NC(Cc1ccccc1)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is IQVOQMLPPAINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)10-17-16-9(18-10)8(15)6-7-4-2-1-3-5-7/h1-5,8H,6,15H2.
What are the key properties of 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 257.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 82184349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).