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

C22H25N3O3 — CID 2992442

IUPAC2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCCc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-4-17-10-12-19(13-11-17)27-15-21(26)25(16(2)3)14-20-23-22(24-28-20)18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3
InChIKeyHKDAZJQTIRBALS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.11
Rot. Bonds8

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

2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 2992442) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
PubChem CID2992442
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCCc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-4-17-10-12-19(13-11-17)27-15-21(26)25(16(2)3)14-20-23-22(24-28-20)18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3
InChIKeyHKDAZJQTIRBALS-UHFFFAOYSA-N
XLogP4.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
2-(2-bromo-4-ethylphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 16013313
2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6473367
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
2-(4-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 2991054
Cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4235504
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide
CID 16483731
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
4-[4,4-Dimethyl-2-oxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 56677134

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (CID 2992442) is 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is CCc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is HKDAZJQTIRBALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-17-10-12-19(13-11-17)27-15-21(26)25(16(2)3)14-20-23-22(24-28-20)18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 379.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2992442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).