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

C21H23N3O3 — CID 2986798

IUPAC2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-15(2)24(20(25)14-26-18-11-7-8-16(3)12-18)13-19-22-21(23-27-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeyBCMQGHYMTVWSLG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.86
Rot. Bonds7

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

2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 2986798) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
PubChem CID2986798
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-15(2)24(20(25)14-26-18-11-7-8-16(3)12-18)13-19-22-21(23-27-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeyBCMQGHYMTVWSLG-UHFFFAOYSA-N
XLogP3.86
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (CID 2986798) is 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is Cc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is BCMQGHYMTVWSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)24(20(25)14-26-18-11-7-8-16(3)12-18)13-19-22-21(23-27-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 365.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2986798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).