5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine

C20H17ClN6O — CID 51901188

IUPAC5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
SMILESC[C@@H](Cc1cnccn1)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C20H17ClN6O/c1-13(9-17-12-22-7-8-23-17)25-18-6-5-15(11-24-18)20-26-19(27-28-20)14-3-2-4-16(21)10-14/h2-8,10-13H,9H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyHYJMZGCWVCYOKJ-ZDUSSCGKSA-N
MW392.85 g/mol
LogP4.29
Rot. Bonds6

About 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine (PubChem CID 51901188) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
PubChem CID51901188
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
SMILESC[C@@H](Cc1cnccn1)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C20H17ClN6O/c1-13(9-17-12-22-7-8-23-17)25-18-6-5-15(11-24-18)20-26-19(27-28-20)14-3-2-4-16(21)10-14/h2-8,10-13H,9H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyHYJMZGCWVCYOKJ-ZDUSSCGKSA-N
XLogP4.29
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 45217148
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
CID 70707331
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 53037214
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 154754970
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 45242419
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106523876

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine (CID 51901188) is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine is C[C@@H](Cc1cnccn1)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1.
What is the InChIKey of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
The InChIKey is HYJMZGCWVCYOKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-13(9-17-12-22-7-8-23-17)25-18-6-5-15(11-24-18)20-26-19(27-28-20)14-3-2-4-16(21)10-14/h2-8,10-13H,9H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine has a molecular weight of 392.85 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine is sourced from PubChem (CID 51901188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).