(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide

C17H14F3N5O2 — CID 70707331

IUPAC(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
SMILESC[C@@H](Nc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cn1)C(N)=O
InChIInChI=1S/C17H14F3N5O2/c1-9(14(21)26)23-13-6-5-11(8-22-13)16-24-15(25-27-16)10-3-2-4-12(7-10)17(18,19)20/h2-9H,1H3,(H2,21,26)(H,22,23)/t9-/m1/s1
InChIKeyPTAHTTRXIXYASW-SECBINFHSA-N
MW377.33 g/mol
LogP3.10
Rot. Bonds5

About (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide

(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide (PubChem CID 70707331) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
PubChem CID70707331
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
SMILESC[C@@H](Nc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cn1)C(N)=O
InChIInChI=1S/C17H14F3N5O2/c1-9(14(21)26)23-13-6-5-11(8-22-13)16-24-15(25-27-16)10-3-2-4-12(7-10)17(18,19)20/h2-9H,1H3,(H2,21,26)(H,22,23)/t9-/m1/s1
InChIKeyPTAHTTRXIXYASW-SECBINFHSA-N
XLogP3.10
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 56888384
2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 45217148
(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
CID 95873563
1-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]azetidin-3-ol
CID 70740569
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6471602
3-amino-4-oxo-4-[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]anilino]butanoic acid;hydrochloride
CID 170158234
3-(6-ethylsulfanyl-3-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740804
N-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347563
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 51901188

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide?
The IUPAC name of (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide (CID 70707331) is (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide is C[C@@H](Nc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cn1)C(N)=O.
What is the InChIKey of (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide?
The InChIKey is PTAHTTRXIXYASW-SECBINFHSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-9(14(21)26)23-13-6-5-11(8-22-13)16-24-15(25-27-16)10-3-2-4-12(7-10)17(18,19)20/h2-9H,1H3,(H2,21,26)(H,22,23)/t9-/m1/s1.
What are the key properties of (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide?
(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide has a molecular weight of 377.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 70707331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).