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

C21H23N3O3 — CID 16475480

IUPAC2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C(C)C
InChIInChI=1S/C21H23N3O3/c1-15(2)24(20(25)14-26-18-11-9-16(3)10-12-18)13-19-22-21(23-27-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyUVLNFRUJFLGVLD-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.00
Rot. Bonds7

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

2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide (PubChem CID 16475480) has the molecular formula C21H23N3O3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
PubChem CID16475480
Molecular FormulaC21H23N3O3
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C(C)C
InChIInChI=1S/C21H23N3O3/c1-15(2)24(20(25)14-26-18-11-9-16(3)10-12-18)13-19-22-21(23-27-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyUVLNFRUJFLGVLD-UHFFFAOYSA-N
XLogP4.00
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity460

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.00
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-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide (CID 16475480) is 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide is CC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C(C)C.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide?
The InChIKey is UVLNFRUJFLGVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)24(20(25)14-26-18-11-9-16(3)10-12-18)13-19-22-21(23-27-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide?
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide has a molecular weight of 365.40 g/mol, XLogP of 4.00, 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-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide is sourced from PubChem (CID 16475480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).