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

C24H21N3O3 — CID 46249420

IUPAC2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-17-12-14-20(15-13-17)29-16-21(28)25-22(18-8-4-2-5-9-18)24-27-26-23(30-24)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,25,28)
InChIKeyZQEYFJDJPRFUMM-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.33
Rot. Bonds7

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

2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 46249420) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID46249420
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-17-12-14-20(15-13-17)29-16-21(28)25-22(18-8-4-2-5-9-18)24-27-26-23(30-24)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,25,28)
InChIKeyZQEYFJDJPRFUMM-UHFFFAOYSA-N
XLogP4.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 46249420) is 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1ccc(OCC(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is ZQEYFJDJPRFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17-12-14-20(15-13-17)29-16-21(28)25-22(18-8-4-2-5-9-18)24-27-26-23(30-24)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,25,28).
What are the key properties of 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 46249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).