N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide

C15H15N5O4 — CID 46971254

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1noc(-c2ccccc2OCC(=O)NCc2noc(C)n2)n1
InChIInChI=1S/C15H15N5O4/c1-9-17-15(24-19-9)11-5-3-4-6-12(11)22-8-14(21)16-7-13-18-10(2)23-20-13/h3-6H,7-8H2,1-2H3,(H,16,21)
InChIKeyPSMZGVROUDBXKN-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.43
Rot. Bonds6

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 46971254) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID46971254
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1noc(-c2ccccc2OCC(=O)NCc2noc(C)n2)n1
InChIInChI=1S/C15H15N5O4/c1-9-17-15(24-19-9)11-5-3-4-6-12(11)22-8-14(21)16-7-13-18-10(2)23-20-13/h3-6H,7-8H2,1-2H3,(H,16,21)
InChIKeyPSMZGVROUDBXKN-UHFFFAOYSA-N
XLogP1.43
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 46971254) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is Cc1noc(-c2ccccc2OCC(=O)NCc2noc(C)n2)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is PSMZGVROUDBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-9-17-15(24-19-9)11-5-3-4-6-12(11)22-8-14(21)16-7-13-18-10(2)23-20-13/h3-6H,7-8H2,1-2H3,(H,16,21).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 329.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 46971254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).