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

C20H21N3O3 — CID 25284071

IUPAC2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1nnc(-c2cccc(OCC(=O)NCc3ccc(C)cc3)c2)o1
InChIInChI=1S/C20H21N3O3/c1-3-19-22-23-20(26-19)16-5-4-6-17(11-16)25-13-18(24)21-12-15-9-7-14(2)8-10-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyMNMHFIPOJPFCPY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.30
Rot. Bonds7

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

2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 25284071) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID25284071
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1nnc(-c2cccc(OCC(=O)NCc3ccc(C)cc3)c2)o1
InChIInChI=1S/C20H21N3O3/c1-3-19-22-23-20(26-19)16-5-4-6-17(11-16)25-13-18(24)21-12-15-9-7-14(2)8-10-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyMNMHFIPOJPFCPY-UHFFFAOYSA-N
XLogP3.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 25284071) is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is CCc1nnc(-c2cccc(OCC(=O)NCc3ccc(C)cc3)c2)o1.
What is the InChIKey of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MNMHFIPOJPFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-19-22-23-20(26-19)16-5-4-6-17(11-16)25-13-18(24)21-12-15-9-7-14(2)8-10-15/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 25284071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).