5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C22H20N4O2 — CID 46908810

IUPAC5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCOCc1cc(-c2nc(-c3ccc(N)nc3)no2)ccc1-c1ccccc1C
InChIInChI=1S/C22H20N4O2/c1-14-5-3-4-6-18(14)19-9-7-15(11-17(19)13-27-2)22-25-21(26-28-22)16-8-10-20(23)24-12-16/h3-12H,13H2,1-2H3,(H2,23,24)
InChIKeyHNLSUYURDNSHTF-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.50
Rot. Bonds5

About 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 46908810) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID46908810
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCOCc1cc(-c2nc(-c3ccc(N)nc3)no2)ccc1-c1ccccc1C
InChIInChI=1S/C22H20N4O2/c1-14-5-3-4-6-18(14)19-9-7-15(11-17(19)13-27-2)22-25-21(26-28-22)16-8-10-20(23)24-12-16/h3-12H,13H2,1-2H3,(H2,23,24)
InChIKeyHNLSUYURDNSHTF-UHFFFAOYSA-N
XLogP4.50
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 46908810) is 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is COCc1cc(-c2nc(-c3ccc(N)nc3)no2)ccc1-c1ccccc1C.
What is the InChIKey of 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is HNLSUYURDNSHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-5-3-4-6-18(14)19-9-7-15(11-17(19)13-27-2)22-25-21(26-28-22)16-8-10-20(23)24-12-16/h3-12H,13H2,1-2H3,(H2,23,24).
What are the key properties of 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 46908810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).