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

C17H15N7O3 — CID 16762424

IUPACN-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(Nc2nonc2-c2noc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C17H15N7O3/c1-25-13-6-4-12(5-7-13)20-15-14(22-27-24-15)16-21-17(26-23-16)19-10-11-3-2-8-18-9-11/h2-9H,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyZVBWNWSLEGTOOO-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.88
Rot. Bonds7

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

N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 16762424) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID16762424
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(Nc2nonc2-c2noc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C17H15N7O3/c1-25-13-6-4-12(5-7-13)20-15-14(22-27-24-15)16-21-17(26-23-16)19-10-11-3-2-8-18-9-11/h2-9H,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyZVBWNWSLEGTOOO-UHFFFAOYSA-N
XLogP2.88
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 16762424) is N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is COc1ccc(Nc2nonc2-c2noc(NCc3cccnc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is ZVBWNWSLEGTOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c1-25-13-6-4-12(5-7-13)20-15-14(22-27-24-15)16-21-17(26-23-16)19-10-11-3-2-8-18-9-11/h2-9H,10H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 365.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 16762424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).