2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide

C22H25N3O3 — CID 2215326

IUPAC2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)25(21(26)14-27-19-11-7-17(4)8-12-19)13-20-23-22(24-28-20)18-9-5-16(3)6-10-18/h5-12,15H,13-14H2,1-4H3
InChIKeyMZPIETOIDSVGGL-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide

2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide (PubChem CID 2215326) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
PubChem CID2215326
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)25(21(26)14-27-19-11-7-17(4)8-12-19)13-20-23-22(24-28-20)18-9-5-16(3)6-10-18/h5-12,15H,13-14H2,1-4H3
InChIKeyMZPIETOIDSVGGL-UHFFFAOYSA-N
XLogP4.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide (CID 2215326) is 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide is Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide?
The InChIKey is MZPIETOIDSVGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)25(21(26)14-27-19-11-7-17(4)8-12-19)13-20-23-22(24-28-20)18-9-5-16(3)6-10-18/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide?
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide has a molecular weight of 379.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2215326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).