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

C23H27N3O3 — CID 8874982

IUPACN-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C23H27N3O3/c1-5-26(22(27)15-28-20-11-9-18(10-12-20)16(2)3)14-21-24-23(25-29-21)19-8-6-7-17(4)13-19/h6-13,16H,5,14-15H2,1-4H3
InChIKeyUPLWIPSCFDNCCT-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.60
Rot. Bonds8

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

N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 8874982) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID8874982
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C23H27N3O3/c1-5-26(22(27)15-28-20-11-9-18(10-12-20)16(2)3)14-21-24-23(25-29-21)19-8-6-7-17(4)13-19/h6-13,16H,5,14-15H2,1-4H3
InChIKeyUPLWIPSCFDNCCT-UHFFFAOYSA-N
XLogP4.60
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylacetamide
CID 30155292
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 8875038
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenoxy)acetamide
CID 6494754
2-(4-bromophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 1257687
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-ynoxybenzamide
CID 40772017
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
CID 7694093
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836537
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 100766731
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951743
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836569

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 8874982) is N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is UPLWIPSCFDNCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-26(22(27)15-28-20-11-9-18(10-12-20)16(2)3)14-21-24-23(25-29-21)19-8-6-7-17(4)13-19/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 8874982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).