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

C23H19N3O3 — CID 1314628

IUPAC2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-16-10-12-20(13-11-16)28-15-21(27)24-19-9-5-8-18(14-19)23-26-25-22(29-23)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,27)
InChIKeySISPEBJQFYTMFV-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.73
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 1314628) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID1314628
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-16-10-12-20(13-11-16)28-15-21(27)24-19-9-5-8-18(14-19)23-26-25-22(29-23)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,27)
InChIKeySISPEBJQFYTMFV-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.73
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-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 1314628) is 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is SISPEBJQFYTMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-10-12-20(13-11-16)28-15-21(27)24-19-9-5-8-18(14-19)23-26-25-22(29-23)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 1314628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).