(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine

C19H15F3N4O2 — CID 122581736

IUPAC(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESN[C@@H](Cc1c[nH]c2ccccc12)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)28-13-7-5-11(6-8-13)17-25-26-18(27-17)15(23)9-12-10-24-16-4-2-1-3-14(12)16/h1-8,10,15,24H,9,23H2/t15-/m0/s1
InChIKeyWWNYKXJYUXBXTC-HNNXBMFYSA-N
MW388.35 g/mol
LogP4.36
Rot. Bonds5

About (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine

(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 122581736) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID122581736
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESN[C@@H](Cc1c[nH]c2ccccc12)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)28-13-7-5-11(6-8-13)17-25-26-18(27-17)15(23)9-12-10-24-16-4-2-1-3-14(12)16/h1-8,10,15,24H,9,23H2/t15-/m0/s1
InChIKeyWWNYKXJYUXBXTC-HNNXBMFYSA-N
XLogP4.36
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-(1H-indol-3-yl)-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 6602709
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7604007
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine
CID 3802690
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine
CID 3692070
(1S)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6602711
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-one
CID 82385854
2-[[5-[1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
CID 73153134
(1R)-2-(1H-indol-3-yl)-1-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 6556882
1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine
CID 3256534
1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 163331704
(1S)-2-(1H-indol-3-yl)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
CID 6602710

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 122581736) is (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine is N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is WWNYKXJYUXBXTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)28-13-7-5-11(6-8-13)17-25-26-18(27-17)15(23)9-12-10-24-16-4-2-1-3-14(12)16/h1-8,10,15,24H,9,23H2/t15-/m0/s1.
What are the key properties of (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 388.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 122581736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).