5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine

C22H20N4O2 — CID 53037202

IUPAC5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3ccc(NCc4ccccc4C)nc3)n2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-5-3-4-6-17(15)13-23-20-12-9-18(14-24-20)22-25-21(26-28-22)16-7-10-19(27-2)11-8-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyFFTJIYJQJASZHV-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.73
Rot. Bonds6

About 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine

5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine (PubChem CID 53037202) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
PubChem CID53037202
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3ccc(NCc4ccccc4C)nc3)n2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-5-3-4-6-17(15)13-23-20-12-9-18(14-24-20)22-25-21(26-28-22)16-7-10-19(27-2)11-8-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyFFTJIYJQJASZHV-UHFFFAOYSA-N
XLogP4.73
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine (CID 53037202) is 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine is COc1ccc(-c2noc(-c3ccc(NCc4ccccc4C)nc3)n2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is FFTJIYJQJASZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-5-3-4-6-17(15)13-23-20-12-9-18(14-24-20)22-25-21(26-28-22)16-7-10-19(27-2)11-8-16/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 53037202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).