N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C20H19N5O2 — CID 28954828

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN(Cc1ccon1)c1ccc(-c2nc(CCc3ccccc3)no2)cn1
InChIInChI=1S/C20H19N5O2/c1-25(14-17-11-12-26-23-17)19-10-8-16(13-21-19)20-22-18(24-27-20)9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9,14H2,1H3
InChIKeyFHIBGCOZHYEPHR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.54
Rot. Bonds7

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 28954828) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID28954828
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN(Cc1ccon1)c1ccc(-c2nc(CCc3ccccc3)no2)cn1
InChIInChI=1S/C20H19N5O2/c1-25(14-17-11-12-26-23-17)19-10-8-16(13-21-19)20-22-18(24-27-20)9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9,14H2,1H3
InChIKeyFHIBGCOZHYEPHR-UHFFFAOYSA-N
XLogP3.54
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26328511
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
CID 28823846
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25311019
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 28871899
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 28953742
2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751099
2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride
CID 120866264
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
CID 99839607

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 28954828) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CN(Cc1ccon1)c1ccc(-c2nc(CCc3ccccc3)no2)cn1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is FHIBGCOZHYEPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(14-17-11-12-26-23-17)19-10-8-16(13-21-19)20-22-18(24-27-20)9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9,14H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 28954828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).