(2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

C17H15F3N4O3 — CID 166021381

IUPAC(2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESN[C@H](CO)Cc1nc(-c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)no1
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)11-4-5-14(22-8-11)26-13-3-1-2-10(6-13)16-23-15(27-24-16)7-12(21)9-25/h1-6,8,12,25H,7,9,21H2/t12-/m0/s1
InChIKeyNOMZGFDJYBEXKT-LBPRGKRZSA-N
MW380.33 g/mol
LogP2.80
Rot. Bonds6

About (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

(2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 166021381) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID166021381
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name(2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESN[C@H](CO)Cc1nc(-c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)no1
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)11-4-5-14(22-8-11)26-13-3-1-2-10(6-13)16-23-15(27-24-16)7-12(21)9-25/h1-6,8,12,25H,7,9,21H2/t12-/m0/s1
InChIKeyNOMZGFDJYBEXKT-LBPRGKRZSA-N
XLogP2.80
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-hydroxy-3-[3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl] carbamate
CID 175498901
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
(1R)-1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
CID 56943336
3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
CID 170875003
3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921078
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
3-(3-chlorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 33485233
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 166021381) is (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is N[C@H](CO)Cc1nc(-c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)no1.
What is the InChIKey of (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is NOMZGFDJYBEXKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c18-17(19,20)11-4-5-14(22-8-11)26-13-3-1-2-10(6-13)16-23-15(27-24-16)7-12(21)9-25/h1-6,8,12,25H,7,9,21H2/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
(2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 380.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 166021381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).