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

C21H20N6O2 — CID 26329906

IUPAC5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
SMILESC[C@H](Cc1cnccn1)Nc1ccc(-c2nc(COc3ccccc3)no2)cn1
InChIInChI=1S/C21H20N6O2/c1-15(11-17-13-22-9-10-23-17)25-19-8-7-16(12-24-19)21-26-20(27-29-21)14-28-18-5-3-2-4-6-18/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyWTEKMKGBHVBTIC-OAHLLOKOSA-N
MW388.43 g/mol
LogP3.54
Rot. Bonds8

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

5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine (PubChem CID 26329906) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
PubChem CID26329906
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
SMILESC[C@H](Cc1cnccn1)Nc1ccc(-c2nc(COc3ccccc3)no2)cn1
InChIInChI=1S/C21H20N6O2/c1-15(11-17-13-22-9-10-23-17)25-19-8-7-16(12-24-19)21-26-20(27-29-21)14-28-18-5-3-2-4-6-18/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyWTEKMKGBHVBTIC-OAHLLOKOSA-N
XLogP3.54
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 51901188
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 26409598
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28685485
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 45242419
(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 51902892
N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45196290
N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25385689
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 95716077
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346014

Frequently Asked Questions

What is the IUPAC name of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine (CID 26329906) is 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine is C[C@H](Cc1cnccn1)Nc1ccc(-c2nc(COc3ccccc3)no2)cn1.
What is the InChIKey of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
The InChIKey is WTEKMKGBHVBTIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-15(11-17-13-22-9-10-23-17)25-19-8-7-16(12-24-19)21-26-20(27-29-21)14-28-18-5-3-2-4-6-18/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine?
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine has a molecular weight of 388.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine is sourced from PubChem (CID 26329906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).